chempirical

5-Methylnicotinic acid

C7H7NO2CAS 3222-49-9137.14 g/mol

Open in Covalent MOL file
NOOH
Carboxylic acid

Properties

Molecular formula
C7H7NO2
Molar mass
137.14 g/mol
Exact mass
137.0477 Da
Melting point
215 °C
logP
1.09Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
3222-49-9
SMILES
Cc1cncc(C(=O)O)c1
InChIKey
DJDHHXDFKSLEQY-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

5 names
  • 3-Pyridinecarboxylic acid, 5-methyl-
  • Nicotinic acid, 5-methyl-
  • 5-Methyl-3-pyridinecarboxylic acid
  • 3-Picoline-5-carboxylic acid
  • NSC 82649

Work with 5-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

Dinicotinic acid499-81-070 % similar 3,5-Dimethylbenzoic acid499-06-962 % similar Uvitic acid499-49-062 % similar 5-Bromonicotinic acid20826-04-459 % similar 5-Hydroxynicotinic acid27828-71-359 % similar 5-Fluoronicotinic acid402-66-458 % similar 5-Pyrimidinecarboxylic acid4595-61-355 % similar M-Toluic acid99-04-755 % 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 4-Methylnicotinic acid3222-50-2

Elsewhere

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