chempirical

5-Bromo-2-methylpyrimidine-4-carboxylic acid

C6H5BrN2O2CAS 100707-39-9217.02 g/mol

Open in Covalent MOL file
NNOOHBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H5BrN2O2
Molar mass
217.02 g/mol
Exact mass
215.9534 Da
logP
1.25Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
100707-39-9
SMILES
CC1=NC=C(C(=N1)C(=O)O)Br
InChIKey
MDERWSRHRJUWNS-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c1-3-8-2-4(7)5(9-3)6(10)11/h2H,1H3,(H,10,11)

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Names and synonyms

1 names
  • 5-Bromo-2-methyl-4-pyrimidinecarboxylic acid

Work with 5-Bromo-2-methylpyrimidine-4-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

3-Amino-6-bromo-2-pyrazinecarboxylic acid486424-37-743 % similar 5-Bromo-3-fluoropicolinic acid669066-91-543 % similar 5-Methyl-2,3-pyridinedicarboxylic acid53636-65-041 % similar 2,3-Pyrazinedicarboxylic acid89-01-041 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-441 % similar 3-Bromoisonicotinic acid13959-02-939 % similar 3-Methylpicolinic acid4021-07-239 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-339 % similar

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

Same formula

2-Bromo-5-nitroaniline10403-47-1 2-Bromo-4-nitrobenzenamine13296-94-1 6-Bromo-2-methyl-3-nitropyridine22282-96-8 2-Bromo-4-methyl-5-nitropyridine23056-47-5 2-Bromo-6-methyl-3-nitropyridine374633-31-5 4-Bromo-3-nitrobenzenamine53324-38-2 2-Bromo-6-nitrobenzenamine59255-95-7 4-Bromo-2-nitroaniline875-51-4

Elsewhere

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