Summary

IMPPAT Phytochemical identifier: IMPHY006976

Phytochemical name: 4-Methylpyridine

Synonymous chemical names:
4-methyl-pyridine

External chemical identifiers:
CID:7963, ChEMBL:CHEMBL15544, ChEBI:32547, ZINC:ZINC000000967366, FDASRS:TJD6V9SSO7, SureChEMBL:SCHEMBL12062, MolPort-001-788-294

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Chemical structure information

SMILES:
Cc1ccncc1

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

InChIKey:
FKNQCJSGGFJEIZ-UHFFFAOYSA-N

DeepSMILES:
Ccccncc6

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: -1.311

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Chemical structure download