Nicotinic acid

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Systematic / IUPAC Name: Pyridine-3-carboxylic acid

ID: Reference519

Other Names: 3-Pyridinecarboxylic acid;
3-Carboxylpyridine;
Pyridine-β-carboxylic acid;
3-Pyridylcarboxylic acid;
m-Pyridinecarboxylic acid ; more

Formula: C6H5NO2

Class: Endogenous Metabolites

Spectral Data

Nicotinic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 10
No. of Spectra 903
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI; NSI
Analyzers FT
Last Modification 1/30/2015 2:06:50 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChI Key PVNIIMVLHYAWGP-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CN=C1)C(=O)O
CAS 59676
Splash
Other Names 3-Pyridinecarboxylic acid;
3-Carboxylpyridine;
Pyridine-β-carboxylic acid;
3-Pyridylcarboxylic acid;
m-Pyridinecarboxylic acid;
Pyridinecarboxylic acid, 3-;
β-Pyridinecarboxylic acid;
Pyridylcarboxylic acid;
Pyridine-3-carbonic acid;
Niacin;
Apelagrin;
Pellagrin;
Pelonin;
Akotin;
Daskil;
Wampocap;
Enduracin;
Efacin;
Nicacid;
Peviton;
Linic;
Nicyl;
Nicamin;
Nicobid;
Nicocap;
Nicolar;
Direktan;
Nicangin;
Nicodelmine;
Niconacid;
Nicotinipca;
Pellagramin;
Diacin;
Niaspan;
Nyclin;
Tinic;
Davitamon PP;
Vitaplex N;
Nicosan 3;
Nicocrisina;
Nicocidin;
Nicodan;
Nicodon;
Niconat;
Niconazid;
Nicoside;
Nicosyl;
Nicotamin;
Nicotene;
Nicotil;
Nicovasan;
Nicovasen;
Nipellen;
Naotin;
Niac;
Nicotine acid;
3-Picolinic acid;
Niacor;
Nico;
PP Factor;
Induracin;
Nicagin;
Vitamin B3;
Pellagra preventive factor;
Niacine;
Antipellagra vitamin

In Other Databases

DrugBank APRD00536
HMDb HMDB01488
PubChem 938
KEGG C00253; D00049
ChEMBL CHEMBL573
Wikipedia Niacin
ChemIDPlus 000054864; 000059676; 000437741; 001976289; 007069069; 010550206; 010550217; 010550240; 010550251; 016468772
ChemSpider 913; 21170376
ChEBI CHEBI:15940