2-Acetyl-3-pyridinecarboxylic acid

C₈H₇NO₃CAS 89942-59-6165.15 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

Properties

Molecular formula: C₈H₇NO₃
Molar mass: 165.15 g/mol
Exact mass: 165.0426 Da
Melting point: 126–127 °C
logP: 0.98Crippen estimate
Polar surface area: 67.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

89942-59-6

SMILES

CC(=O)c1ncccc1C(=O)O

InChIKey

JYUCDFZMJMRPHS-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO3/c1-5(10)7-6(8(11)12)3-2-4-9-7/h2-4H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

3-Pyridinecarboxylic acid, 2-acetyl-
Nicotinic acid, 2-acetyl-
2-Acetylpyridine-3-carboxylic acid
2-Acetylnicotinic acid

Work with 2-Acetyl-3-pyridinecarboxylic acid

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

Quinolinic acid89-00-972 % similar 2-Acetylbenzoic acid577-56-059 % similar 2-Methylnicotinic acid3222-56-858 % similar 2-Hydroxynicotinic acid609-71-256 % similar 2-Methoxynicotinic acid16498-81-055 % similar 2-Chloronicotinic acid2942-59-854 % similar 2-Mercaptonicotinic acid38521-46-954 % similar 2-Fluoronicotinic acid393-55-554 % similar

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

Same formula

P-Nitroacetophenone100-19-6 Methyl 6-formylpyridine-3-carboxylate10165-86-3 3′-Nitroacetophenone121-89-1 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-3 4-Methyl-3-nitrobenzaldehyde31680-07-6 Coixol532-91-2 2′-Nitroacetophenone577-59-3 4-(Aminocarbonyl)benzoic acid6051-43-0

Elsewhere

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