chempirical

3-Methylpicolinic acid

C7H7NO2CAS 4021-07-2137.14 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
118 °C
logP
1.09Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
4021-07-2
SMILES
Cc1cccnc1C(=O)O
InChIKey
LMHIBYREWJHKNZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-5-3-2-4-8-6(5)7(9)10/h2-4H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

6 names
  • 2-Pyridinecarboxylic acid, 3-methyl-
  • Picolinic acid, 3-methyl-
  • 3-Methyl-2-pyridinecarboxylic acid
  • 3-Methyl-2-picolinic acid
  • NSC 109145
  • NSC 109148

Work with 3-Methylpicolinic 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 acid89-00-963 % similar 3-Hydroxypicolinic acid874-24-861 % similar 3-Aminopicolinic acid1462-86-859 % similar 2-Methylnicotinic acid3222-56-854 % similar 2-Acetyl-3-pyridinecarboxylic acid89942-59-654 % similar 2,6-Dimethylbenzoic acid632-46-253 % similar 1-Isoquinolinecarboxylic acid486-73-749 % similar 2-Methoxynicotinic acid16498-81-047 % 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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