Summary

IMPPAT Phytochemical identifier: IMPHY016388

Phytochemical name: 3-Methylpyridine

Synonymous chemical names:
3-methylpyridine

External chemical identifiers:
CID:7970, ChEMBL:CHEMBL15722, ChEBI:39922, ZINC:ZINC000008294958, FDASRS:B083J4KF7F, SureChEMBL:SCHEMBL10530, MolPort-019-369-024

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Chemical structure information

SMILES:
Cc1cccnc1

InChI:
InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3

InChIKey:
ITQTTZVARXURQS-UHFFFAOYSA-N

DeepSMILES:
Cccccnc6

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccncc1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Methylpyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.706

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Chemical structure download