chempirical

2-Methylnicotinic acid

C7H7NO2CAS 3222-56-8137.14 g/mol

Open in Covalent MOL file
NOHO
Carboxylic acid

Properties

Molecular formula
C7H7NO2
Molar mass
137.14 g/mol
Exact mass
137.0477 Da
Melting point
226–227 °C
logP
1.09Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
3222-56-8
SMILES
Cc1ncccc1C(=O)O
InChIKey
HNTZKNJGAFJMHQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-5-6(7(9)10)3-2-4-8-5/h2-4H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

4 names
  • 3-Pyridinecarboxylic acid, 2-methyl-
  • Nicotinic acid, 2-methyl-
  • 2-Methyl-3-pyridinecarboxylic acid
  • 2-Picoline-3-carboxylic acid

Work with 2-Methylnicotinic 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

2-Methoxynicotinic acid16498-81-065 % similar 2-Methyl-3-pyridinecarboxamide58539-65-464 % similar Quinolinic acid89-00-963 % similar 2-Hydroxynicotinic acid609-71-261 % similar 2-Chloronicotinic acid2942-59-859 % similar 2-Mercaptonicotinic acid38521-46-959 % similar 2-Fluoronicotinic acid393-55-559 % similar 2-Aminonicotinic acid5345-47-159 % similar

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

Same formula

Anthranilic acid118-92-3 Benzodioxol-5-amine14268-66-7 4-Aminobenzoic acid150-13-0 3-Acetoxypyridine17747-43-2 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3 5-Methylnicotinic acid3222-49-9

Elsewhere

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