Record Information |
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Version | 1.0 |
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Created at | 2020-04-27 16:33:39 UTC |
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Updated at | 2021-01-04 18:49:00 UTC |
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CannabisDB ID | CDB005569 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | 2-vinylpyridine |
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Description | 2-Phenylpyridine, also known as 2-PP, is a phenyl derivative of pyridine in which the phenyl group positioning at C-2 of the pyridine ring. 2-Phenylpyridine belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. There are three different isomers of phenylpyridine including 2-, 3- and 4-Phenylpyridine. 2-Phenylpyridine exists as a clear, colorless, viscous liquid that is almost insoluble in water. It has a warm, pungent-floral, mildly green odor. 2-Phenylpyridine has been detected, but not quantified in, sweet oranges and tea. This could make 2-phenylpyridine a potential biomarker for the consumption of these foods. It has been speculated that 2-Phenylpyridine could contribute to idiopathic Parkinson’s disease, but this was shown not to be the case through a series of studies on dopaminergic neurotoxicity of several phenylpyridine derivatives (PMID: 3210027 ). 2-Phenylpyridine and related derivatives have attracted interest as precursors to highly fluorescent metal complexes of possible value as organic light emitting diodes (OLEDs). Phenylpyridines are found in cannabis smoke. 2-Phenylpyridine is formed during the combustion of cannabis ( Ref:DOI ). |
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Structure | |
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Synonyms | Not Available |
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Chemical Formula | C11H9N |
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Average Molecular Weight | 155.2 |
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Monoisotopic Molecular Weight | 155.0735 |
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IUPAC Name | 2-phenylpyridine |
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Traditional Name | 2-phenylpyridine |
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CAS Registry Number | 94928-86-6 |
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SMILES | C1=CC=C(C=C1)C1=CC=CC=N1 |
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InChI Identifier | InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H |
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InChI Key | VQGHOUODWALEFC-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyridines and derivatives |
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Sub Class | Phenylpyridines |
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Direct Parent | Phenylpyridines |
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Alternative Parents | |
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Substituents | - 2-phenylpyridine
- Benzenoid
- Monocyclic benzene moiety
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Not Available | Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | logP | Not Available | Not Available |
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Predicted Properties | [] |
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Spectra |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | 2-vinylpyridine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a6r-0900000000-05afb076faca27df28d3 | Spectrum | Predicted GC-MS | 2-vinylpyridine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT 19V, positive | splash10-0a4i-2900000000-ee4a41f8f551358268e2 | 2020-07-21 | View Spectrum | MS/MS | LC-MS/MS Spectrum - 61V, Positive | splash10-0a4i-2900000000-ee4a41f8f551358268e2 | 2021-09-20 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0900000000-b17097aafe6390905278 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-0900000000-bb772db131e3a79f7333 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0zi0-4900000000-0b735c536c03abc8175f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-033fa7df1c265b6f3819 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-3a23be5b284cbedaa609 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-3900000000-61fb822aa2e33a818a07 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0900000000-c96b9f679f0b9bcb2557 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-0900000000-a39dc1300f91519bf230 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0zi0-2900000000-93ef4dc9c36cab71a144 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-dad8c928447125c7059a | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-dad8c928447125c7059a | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0900000000-136563b032c203876d53 | 2021-10-12 | View Spectrum |
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NMR | Not Available |
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Pathways |
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Pathways | Not Available |
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Protein Targets |
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Enzymes | Not Available |
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Transporters | Not Available |
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Metal Bindings | Not Available |
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Receptors | Not Available |
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Transcriptional Factors | Not Available |
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Concentrations Data |
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External Links |
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HMDB ID | HMDB0245295 |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | FDB004404 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 13286 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | 2-Phenylpyridine |
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METLIN ID | Not Available |
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PubChem Compound | Not Available |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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References |
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General References | - Perry TL, Jones K, Hansen S, Wall RA: 2-Phenylpyridine and 3-phenylpyridine, constituents of tea, are unlikely to cause idiopathic Parkinson's disease. J Neurol Sci. 1988 Jul;85(3):309-17. doi: 10.1016/0022-510x(88)90189-x. [PubMed:3210027 ]
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