chempirical

4-Pyrimidinecarboxylic acid

C5H4N2O2CAS 31462-59-6124.10 g/mol

Open in Covalent MOL file
OHONN
Carboxylic acid

Properties

Molecular formula
C5H4N2O2
Molar mass
124.10 g/mol
Exact mass
124.0273 Da
Melting point
238 °C
logP
0.17Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
31462-59-6
SMILES
O=C(O)c1ccncn1
InChIKey
YPOXGDJGKBXRFP-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9)

Weigh it out

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

Work with 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

4,6-Pyrimidine dicarboxylic acid16490-02-157 % similar Picolinic acid98-98-657 % similar Isonicotinic acid55-22-152 % similar 5-Fluoropyridine-2-carboxylic acid107504-08-552 % similar 2-Chloropyrimidine-4-carboxylic acid149849-92-352 % similar Picolinic acid hydrochloride636-80-652 % similar 2,5-Pyridinedicarboxylic acid100-26-550 % similar 2,5-Pyrazinedicarboxylic acid122-05-450 % similar

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

Same formula

4-Nitropyridine1122-61-8 Pyridazine-3-carboxylic acid2164-61-6 3-Nitropyridine2530-26-9 Pyrimidine-2-carboxylic acid31519-62-7 5-Pyrimidinecarboxylic acid4595-61-3 Pyridazine-4-carboxylic Acid50681-25-9 Pyrazinoic acid98-97-5

Elsewhere

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