chempirical

4-Methylnicotinic acid

C7H7NO2CAS 3222-50-2137.14 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
215–216 °C
logP
1.09Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
3222-50-2
SMILES
Cc1ccncc1C(=O)O
InChIKey
ZKUZSTXNVMIDCY-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-5-2-3-8-4-6(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
  • NSC 22592
  • 3-Pyridinecarboxylic acid, 4-methyl-
  • Nicotinic acid, 4-methyl-
  • 4-Methyl-3-pyridinecarboxylic acid
  • Homonicotinic acid
  • 4-Picoline-3-carboxylic acid

Work with 4-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

Cinchomeronic acid490-11-967 % similar 4-Chloronicotinic acid10177-29-459 % similar 3-Hydroxy-4-pyridinecarboxylic acid10128-71-956 % similar 3-Bromoisonicotinic acid13959-02-954 % similar 2,5-Dimethylbenzoic acid610-72-051 % similar 5-Iodo-2-methylbenzoic acid54811-38-050 % similar 3-(5-Azaindole)carboxylic acid119248-43-049 % similar 5-Amino-2-methylbenzoic acid2840-04-249 % 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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