| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:32:27 UTC |
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| Updated at | 2021-01-04 20:37:46 UTC |
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| CannabisDB ID | CDB005557 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 2,6-Dimethyl-1H-pyrrolo[2,3-b]pyridine |
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| Description | 2,6-Dimethyl-1H-pyrrolo[2,3-b]pyridine, also known as 2,6-dimethyl-7-azaindole, belongs to the class of organic compounds known as pyrrolopyridines. Pyrrolopyridines are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is a 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. 2,6-Dimethyl-1H-pyrrolo[2,3-b]pyridine is a strongly basic compound. 2,6-Dimethyl-1H-pyrrolo[2,3-b]pyridine is a dimethylated derivative of pyrrolopyridine. 2,6-Dimethyl-1H-pyrrolo[2,3-b]pyridine is one of several structural isomers of dimethylpyrrolopyridine which is substituted by two methyl groups at different positions. Dimethylpyrrolopyridines are found in marijuana smoke ( Ref:DOI ). 2,6-Dimethyl-1H-pyrrolo[2,3-b]pyridine is formed during the combustion of cannabis. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C9H10N2 |
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| Average Molecular Weight | 146.19 |
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| Monoisotopic Molecular Weight | 146.0844 |
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| IUPAC Name | 2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine |
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| Traditional Name | 2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine |
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| CAS Registry Number | 1255099-47-8 |
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| SMILES | CC1=CC2=C(N1)N=C(C)C=C2 |
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| InChI Identifier | InChI=1S/C9H10N2/c1-6-3-4-8-5-7(2)11-9(8)10-6/h3-5H,1-2H3,(H,10,11) |
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| InChI Key | KXVBRNVWAHUQSP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as pyrrolopyridines. Pyrrolopyridines are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyrrolopyridines |
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| Sub Class | Not Available |
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| Direct Parent | Pyrrolopyridines |
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| Alternative Parents | |
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| Substituents | - Pyrrolopyridine
- Methylpyridine
- Substituted pyrrole
- Pyridine
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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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