chempirical

Methyl 3-bromopyrazine-2-carboxylate

C6H5BrN2O2CAS 51171-02-9217.02 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
51171-02-9
SMILES
COC(=O)C1=NC=CN=C1Br
InChIKey
CMITUAXQMWSHLL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3

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Work with Methyl 3-bromopyrazine-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

Methyl 3,6-dibromopyrazine-2-carboxylate13301-04-761 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-659 % similar Methyl 3-chloropyrazine-2-carboxylate27825-21-459 % similar Methyl 2-bromopyridine-3-carboxylate52718-95-358 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-953 % similar Methyl 3-methylpyridine-2-carboxylate59718-84-251 % similar Methyl 5-bromothiazole-4-carboxylate913836-22-351 % similar Methyl 3-amino-2-pyridinecarboxylate36052-27-450 % 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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