Summary

IMPPAT Phytochemical identifier: IMPHY006059

Phytochemical name: 2-Methyl-5-phenylpyridine

Synonymous chemical names:
2-methyl-5-phenyl-pyridine

External chemical identifiers:
CID:76744, ZINC:ZINC000013208845, SureChEMBL:SCHEMBL538283, MolPort-002-496-229

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Chemical structure information

SMILES:
Cc1ccc(cn1)c1ccccc1

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

InChIKey:
JXNAIOCJWBJGFQ-UHFFFAOYSA-N

DeepSMILES:
Ccccccn6))cccccc6

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2cccnc2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCCNC2)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: -1.069

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Chemical structure download