2-Methyl-4-pyrimidinecarboxylic acid

C6H6N2O2CAS 13627-49-1138.13 g/mol

Open in Covalent MOL file
NNOOH
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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
13627-49-1
SMILES
CC1=NC=CC(=N1)C(=O)O
InChIKey
CDBDBWCUGHXFTN-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-4-7-3-2-5(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-Methyl-4-pyrimidinecarboxylic 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-4-carboxylic acid149849-92-361 % similar 2-Aminopyrimidine-4-carboxylic acid2164-65-059 % similar 4-Methylpyridine-2-carboxylic acid4021-08-354 % similar Dipicolinic acid499-83-252 % similar 6-Methylpyridine-2-carboxylic acid934-60-151 % similar 4-Pyrimidinecarboxylic acid31462-59-650 % similar 6-Fluoropyridine-2-carboxylic acid402-69-749 % similar Lutidinic acid499-80-949 % 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 3-Aminopicolinic acid1462-86-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook