Sodium nicotinate

C6H4NNaO2CAS 54-86-4145.09 g/mol

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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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
54-86-4
SMILES
[O-]C(=O)c1cccnc1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Niacin59-67-6Free acid Xanthinol nicotinate437-74-1Salt Chromium nicotinate64452-96-6Salt Norfloxacin nicotinate118803-81-9Salt

Similar compounds

Sodium benzoate532-32-160 % similar 1-(3-Pyridyl)propan-1-one1570-48-550 % similar Nicotinic anhydride16837-38-050 % similar 3-Acetylpyridine350-03-850 % similar Sodium m-fluorobenzoate499-57-050 % similar Phenyl-3-pyridinylmethanone5424-19-150 % similar Picamilon62936-56-549 % similar 3-(2-Bromoacetyl)pyridine hydrobromide17694-68-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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