Summary

IMPPAT Phytochemical identifier: IMPHY017080

Phytochemical name: 3-Phenylpyridine

Synonymous chemical names:
3-phenylpyridine

External chemical identifiers:
CID:13886, ChEMBL:CHEMBL34657, ZINC:ZINC000002040069, FDASRS:EDZ6KB7JVC, SureChEMBL:SCHEMBL141605, MolPort-001-789-201

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Chemical structure information

SMILES:
c1ccc(cc1)c1cccnc1

InChI:
InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H

InChIKey:
HJKGBRPNSJADMB-UHFFFAOYSA-N

DeepSMILES:
cccccc6))ccccnc6

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: -1.005

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Chemical structure download