Summary

IMPPAT Phytochemical identifier: IMPHY003167

Phytochemical name: 3-Methoxypyridine

Synonymous chemical names:
3-methoxy-pyridine

External chemical identifiers:
CID:23719, ZINC:ZINC000000403175, FDASRS:XV2A2D8595, SureChEMBL:SCHEMBL162478, MolPort-001-768-750

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Chemical structure information

SMILES:
COc1cccnc1

InChI:
InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3

InChIKey:
UMJSCPRVCHMLSP-UHFFFAOYSA-N

DeepSMILES:
COccccnc6

Functional groups:
cOC, 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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.207

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Chemical structure download