Summary

IMPPAT Phytochemical identifier: IMPHY007153

Phytochemical name: 3-Methyl-2-phenylpyridine

Synonymous chemical names:
3-(4-methyl-hexyl)-pyridine, 3-(4-methyl-phenyl)-pyridine

External chemical identifiers:
CID:66302, ZINC:ZINC000001634132, FDASRS:OIY9I0GL3Z, SureChEMBL:SCHEMBL64623, MolPort-003-900-936

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Chemical structure information

SMILES:
Cc1cccnc1c1ccccc1

InChI:
InChI=1S/C12H11N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-9H,1H3

InChIKey:
BJATUPPYBZHEIO-UHFFFAOYSA-N

DeepSMILES:
Cccccnc6cccccc6

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2ccccn2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCCCN2)CC1

Scaffold Graph level:
C1CCC(C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Phenylpyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -0.838

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Chemical structure download