Isonicotinic Acid

Isonicotinic Acid bmse000133 - Data bmst000320 - Theory

Isonicotinic_acid synonyms

Acide iso-nicotinique [French]; 1,4-Dihydroisonicotinic acid; gamma-Pyridinecarboxylic acid; 4-Picolinic acid; p-Pyridinecarboxylic acid; ISONICOTINIC ACID; INA; gamma-Picolinic acid; 4-Pyridinecarboxylic acid; 4-Carboxypyridine

Wikipedia:

Graphical representations:

isonicotinic_acid

View large 3D structure

Molecular Formula: C6H5NO2

Natural Isotopic Abundance Mass: 123.1094000000

Mono-Isotopic Molecular Masses:

  • C12N14: 123.03202841
  • C13N14: 129.052157437
  • C12N15: 124.029063303
  • C13N15: 130.0491923299

InChI string: InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)

IUPAC: pyridine-4-carboxylic acid

PubChem Compound (CID): 5922
KEGG Compound ID: C07446
CAS Registry number: 55-22-1
ChEBI: 6032
EINECS: 200-228-2
NSC: 1483

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)