CHEBI:46864 - 3-carboxypyridine-4-carboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-carboxypyridine-4-carboxylate
ChEBI ID CHEBI:46864
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H4NO4
Net Charge -1
Average Mass 166.113
Monoisotopic Mass 166.01458
InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)/p-1
InChIKey MUYSADWCWFFZKR-UHFFFAOYSA-M
SMILES OC(=O)C1=CN=CC=C1C([O-])=O
ChEBI Ontology
Outgoing 3-carboxypyridine-4-carboxylate (CHEBI:46864) is a cinchomeronate(1−) (CHEBI:46862)
3-carboxypyridine-4-carboxylate (CHEBI:46864) is tautomer of 4-carboxypyridine-3-carboxylate (CHEBI:46863)
Incoming 4-carboxypyridine-3-carboxylate (CHEBI:46863) is tautomer of 3-carboxypyridine-4-carboxylate (CHEBI:46864)
IUPAC Name
3-carboxypyridine-4-carboxylate
Synonym Source
3-carboxyisonicotinate IUPAC
Registry Number Type Source
2366212 Gmelin Registry Number Gmelin
Last Modified
23 August 2024