Summary

IMPPAT Phytochemical identifier: IMPHY013817

Phytochemical name: 2,4'-Bipyridine

Synonymous chemical names:
2,4'-dipyridyl

External chemical identifiers:
CID:68488, ChEMBL:CHEMBL1867574, ZINC:ZINC000001846500, FDASRS:C6SN6RU851, SureChEMBL:SCHEMBL169510, MolPort-006-111-879

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Chemical structure information

SMILES:
n1ccc(cc1)c1ccccn1

InChI:
InChI=1S/C10H8N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-8H

InChIKey:
RMHQDKYZXJVCME-UHFFFAOYSA-N

DeepSMILES:
nccccc6))cccccn6

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2ccncc2)nc1

Scaffold Graph/Node level:
C1CCC(C2CCNCC2)NC1

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: Bipyridines and oligopyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.41

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Chemical structure download