chempirical

Sodium nicotinate

C6H4NNaO2CAS 54-86-4145.09 g/mol

Open in Covalent MOL file
O−ONNa+
Carboxylic acid

Properties

Molecular formula
C6H4NNaO2
Molar mass
145.09 g/mol
Exact mass
145.0140 Da
logP
0.40Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
54-86-4
SMILES
[O-]C(=O)c1cccnc1.[Na+]
InChIKey
MOGXONWQXZGYTK-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO2.Na/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 3-Pyridinecarboxylic acid, sodium salt (1:1)
  • Nicotinic acid, sodium salt
  • 3-Pyridinecarboxylic acid, sodium salt
  • Naotin
  • Nicoside
  • Sodium pyridine-3-carboxylate

Work with Sodium nicotinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chromium nicotinate64452-96-680 % similar Sodium benzoate532-32-160 % similar 3-Propionylpyridine1570-48-550 % similar 3-Acetylpyridine350-03-850 % similar Sodium m-fluorobenzoate499-57-050 % similar Picamilon62936-56-549 % similar 3-(2-Bromoacetyl)pyridine hydrobromide17694-68-746 % similar Nicotinic acid chloride hydrochloride20260-53-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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