Summary

IMPPAT Phytochemical identifier: IMPHY016396

Phytochemical name: 3-Pyridinecarboxaldehyde

Synonymous chemical names:
3-pyridinecarboxaldehyde

External chemical identifiers:
CID:10371, ChEMBL:CHEMBL268493, ChEBI:28345, ZINC:ZINC000000158588, FDASRS:840R4IDQ1T, SureChEMBL:SCHEMBL55950, MolPort-000-139-967

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Chemical structure information

SMILES:
O=Cc1cccnc1

InChI:
InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H

InChIKey:
QJZUKDFHGGYHMC-UHFFFAOYSA-N

DeepSMILES:
O=Cccccnc6

Functional groups:
cC=O, 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: Pyridine carboxaldehydes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -0.685

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Chemical structure download