5-Bromopyrimidine-2-carboxylic acid

C₅H₃BrN₂O₂CAS 37131-87-6202.99 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₅H₃BrN₂O₂
Molar mass: 202.99 g/mol
Exact mass: 201.9378 Da
logP: 0.94Crippen 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

37131-87-6

SMILES

C1=C(C=NC(=N1)C(=O)O)Br

InChIKey

XGPTXUYKEDPXCO-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrN2O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2H,(H,9,10)

Weigh it out

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

Work with 5-Bromopyrimidine-2-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

5-Bromopyridine-2-carboxylic acid30766-11-158 % similar 2,5-Dibromo-3-pyridinecarboxylic acid29312-99-055 % similar Pyrimidine-2-carboxylic acid31519-62-754 % similar 1-(5-Bromopyrimidin-2-yl)ethanone1189169-37-653 % similar 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-453 % similar 5-Bromo-2-chloronicotinic acid29241-65-451 % similar 5-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-551 % similar 2-Amino-5-bromonicotinic acid52833-94-051 % similar

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

Same formula

3-Bromo-5-nitropyridine15862-30-3 2-Bromo-3-nitropyridine19755-53-4 2-Bromo-6-nitropyridine21203-78-1 5-Bromo-2-nitropyridine39856-50-3 2-Bromo-5-nitropyridine4487-59-6 3-Bromo-2-nitropyridine54231-33-3 2-Bromo-4-nitropyridine6945-67-1 5-Bromo-2-pyrazinecarboxylic acid876161-05-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook