Summary

IMPPAT Phytochemical identifier: IMPHY002884

Phytochemical name: 3-Methoxypyridine-4-carboxylate

Synonymous chemical names:
3-methoxyisonicotinic acid

External chemical identifiers:
CID:27282456

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Chemical structure information

SMILES:
COc1cnccc1C(=O)[O-]

InChI:
InChI=1S/C7H7NO3/c1-11-6-4-8-3-2-5(6)7(9)10/h2-4H,1H3,(H,9,10)/p-1

InChIKey:
BPFAUAVGNNFDID-UHFFFAOYSA-M

DeepSMILES:
COccnccc6C=O)[O-]

Functional groups:
cC(=O)[O-], 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: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Pyridinecarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -0.663

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Chemical structure download