chempirical

5-Bromo-2-pyrazinecarboxylic acid

C5H3BrN2O2CAS 876161-05-6203.00 g/mol

Open in Covalent MOL file
NNBrOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H3BrN2O2
Molar mass
203.00 g/mol
Exact mass
201.9378 Da
logP
0.94Crippen estimate
Polar surface area
63.1 Ų
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
876161-05-6
SMILES
C1=C(N=CC(=N1)Br)C(=O)O
InChIKey
NPJHCKULJAIWGV-UHFFFAOYSA-N
InChI
InChI=1S/C5H3BrN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)

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Names and synonyms

1 names
  • 5-Bromopyrazine-2-carboxylic acid

Work with 5-Bromo-2-pyrazinecarboxylic 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

2,5-Pyrazinedicarboxylic acid122-05-472 % similar 2,5-Pyrazinedicarboxylic acid dihydrate205692-63-364 % similar 5-Chloro-2-pyrazinecarboxylic acid36070-80-156 % similar 5-Aminopyrazine-2-carboxylic acid40155-43-956 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-156 % similar 5-Bromopyridine-2-carboxylic acid30766-11-155 % similar 6-Bromonicotinic acid6311-35-955 % similar 5-Methoxy-2-pyrazinecarboxylic acid40155-42-851 % 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-Bromopyrimidine-2-carboxylic acid37131-87-6 5-Bromo-2-nitropyridine39856-50-3 2-Bromo-5-nitropyridine4487-59-6 3-Bromo-2-nitropyridine54231-33-3 2-Bromo-4-nitropyridine6945-67-1

Elsewhere

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