| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-04-27 16:34:28 UTC |
|---|
| Updated at | 2021-01-04 20:37:46 UTC |
|---|
| CannabisDB ID | CDB005577 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | 3-(2-Methylphenyl)pyridine |
|---|
| Description | 3-(2-Methylphenyl)pyridine, C12H11N, also known as 3-(o-tolyl)pyridine, is a bicyclic heterocyclic aromatic compound. It belongs to the class of organic compound known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. 3-(2-Methylphenyl)pyridine is one of several structural isomers of methylphenylpyridine which is substituted by one methyl and one phenyl groups at different positions. 3-(2-Methylphenyl)pyridine is a strongly basic compound. Methylphenylpyridines are found in marijuana smoke ( Ref:DOI ). 3-(2-Methylphenyl)pyridine is formed during the combustion of cannabis. |
|---|
| Structure | |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C12H11N |
|---|
| Average Molecular Weight | 169.23 |
|---|
| Monoisotopic Molecular Weight | 169.0891 |
|---|
| IUPAC Name | 3-(2-methylphenyl)pyridine |
|---|
| Traditional Name | 3-(2-methylphenyl)pyridine |
|---|
| CAS Registry Number | 90395-49-6 |
|---|
| SMILES | CC1=CC=CC=C1C1=CN=CC=C1 |
|---|
| InChI Identifier | InChI=1S/C12H11N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-9H,1H3 |
|---|
| InChI Key | RWQQGQLBQBGMTO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Classification | Not classified |
|---|
| Ontology |
|---|
|
Not Available | | Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
|
|---|
| Predicted Properties | [] |
|---|
| Spectra |
|---|
| EI-MS/GC-MS | Not Available |
|---|
| MS/MS | | Type | Description | Splash Key | View |
|---|
| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
|
|---|
| NMR | Not Available |
|---|
| Pathways |
|---|
| Pathways | Not Available |
|---|
| Protein Targets |
|---|
| Enzymes | Not Available |
|---|
| Transporters | Not Available |
|---|
| Metal Bindings | Not Available |
|---|
| Receptors | Not Available |
|---|
| Transcriptional Factors | Not Available |
|---|
| Concentrations Data |
|---|
| Not Available |
|---|
| External Links |
|---|
| HMDB ID | Not Available |
|---|
| DrugBank ID | Not Available |
|---|
| Phenol Explorer Compound ID | Not Available |
|---|
| FoodDB ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| Chemspider ID | 3346006 |
|---|
| KEGG Compound ID | Not Available |
|---|
| BioCyc ID | Not Available |
|---|
| BiGG ID | Not Available |
|---|
| Wikipedia Link | Not Available |
|---|
| METLIN ID | Not Available |
|---|
| PubChem Compound | 4133191 |
|---|
| PDB ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| References |
|---|
| General References | Not Available |
|---|
