S3V

pyridine-4-carboxylic acid

Created:2020-03-04
Last modified:  2020-04-22

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Chemical Details

Formal Charge0
Atom Count14
Chiral Atom Count0
Bond Count14
Aromatic Bond Count6
2D diagram of S3V

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Chemical Component Summary

Namepyridine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)pyridine-4-carboxylic acid
FormulaC6 H5 N O2
Molecular Weight123.109
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OC(=O)c1ccncc1
SMILESOpenEye OEToolkits2.0.6c1cnccc1C(=O)O
Canonical SMILESCACTVS3.385 OC(=O)c1ccncc1
Canonical SMILESOpenEye OEToolkits2.0.6 c1cnccc1C(=O)O
InChIInChI1.03 InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
InChIKeyInChI1.03 TWBYWOBDOCUKOW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB16884 
NameIsonicotinic acid
Groups investigational
Synonyms
  • Isonicotinic acid
  • 4-Pyridinecarboxylic acid
CategoriesPyridines
CAS number55-22-1

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Hydroxycarboxylic acid receptor 2MNRHHLQDHFLEIDKKNCCVFRDDFIVKVLPPVLGLEFIFGLLGNGLALW...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL1203
PubChem 5922
ChEMBL CHEMBL1203
ChEBI CHEBI:6032
CCDC/CSD DADNAA, FATLAQ