Nicotinic Acid

Niacin synonyms

Nicotamin; Pyridine-carboxylique-3 [French]; SK-Niacin; Pelonin; Pyridine-beta-carboxylic acid; Nicocidin; Nicolar; NAH; Daskil; Niaspan; Niacin [USAN]

Wikipedia:

Graphical representations:

niacin

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)5-2-1-3-7-4-5/h1-4H,(H,8,9)

IUPAC: pyridine-3-carboxylic acid

PubChem Compound (CID): 938
KEGG Compound ID: C00253
CAS Registry number: 10361-13-4 123574-58-3 16518-17-5 1976-28-9 28029-53-0 28029-54-1 36321-41-2 3789-96-6 53890-72-5 54-86-4 59-67-6 636-79-3 7069-06-9 823-77-8 99148-57-9
ChEBI: 15940
Beilstein Handbook Reference: 5-22-02-00057
NSC: 169454
EINECS: 200-441-0
CCRIS: 1902
HSDB: 3134
PDB Compound ID: NIO

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)