2-Methylpyrimidine-5-carboxylic acid

C₆H₆N₂O₂CAS 5194-32-1138.13 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₆H₆N₂O₂
Molar mass: 138.13 g/mol
Exact mass: 138.0429 Da
logP: 0.48Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5194-32-1

SMILES

CC1=NC=C(C=N1)C(=O)O

InChIKey

NMGIXZFBQPETOK-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O2/c1-4-7-2-5(3-8-4)6(9)10/h2-3H,1H3,(H,9,10)

Weigh it out

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

Work with 2-Methylpyrimidine-5-carboxylic 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-Chloropyrimidine-5-carboxylic acid374068-01-661 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-859 % similar 6-Methylpyridine-3-carboxylic acid3222-47-758 % similar 5-Pyrimidinecarboxylic acid4595-61-356 % similar 6-Fluoronicotinic acid403-45-255 % similar 2-(Trifluoromethyl)pyrimidine-5-carboxylic acid306960-77-053 % similar 2,5-Pyridinedicarboxylic acid100-26-552 % similar 5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-951 % similar

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

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 Benzoquinone dioxime105-11-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook