chempirical

Methyl 5-bromopyrimidine-2-carboxylate

C6H5BrN2O2CAS 89581-38-4217.02 g/mol

Open in Covalent MOL file
OONNBr
Aryl halideEster

Properties

Molecular formula
C6H5BrN2O2
Molar mass
217.02 g/mol
Exact mass
215.9534 Da
logP
1.03Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
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
89581-38-4
SMILES
COC(=O)C1=NC=C(C=N1)Br
InChIKey
XILAKTMDKMVJQV-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3

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Names and synonyms

1 names
  • Methyl-5-bromo-2 pyrimidine carboxylate

Work with Methyl 5-bromopyrimidine-2-carboxylate

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-Pyrimidinecarboxylicacid,5-methyl-,methylester(6ci,9ci)76196-80-065 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-362 % similar Methyl 2-pyrimidinecarboxylate34253-03-758 % similar Methyl 5-bromo-3-methylpicolinate213771-32-557 % similar Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-555 % similar 5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-055 % similar Methyl 5-bromo-2-chloronicotinate78686-79-055 % similar Methyl 5-bromopyridine-3-carboxylate29681-44-554 % similar

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

Same formula

5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-9 2-Bromo-5-nitroaniline10403-47-1 2-Bromo-4-nitrobenzenamine13296-94-1 3-Bromo-2-methyl-5-nitropyridine186593-42-0 6-Bromo-2-methyl-3-nitropyridine22282-96-8 2-Bromo-3-nitro-4-picoline23056-45-3 2-Bromo-4-methyl-5-nitropyridine23056-47-5 2-Bromo-3-methyl-5-nitropyridine23132-21-0

Elsewhere

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