Methyl 3,6-dibromopyrazine-2-carboxylate

C₆H₄Br₂N₂O₂CAS 13301-04-7295.92 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₄Br₂N₂O₂
Molar mass: 295.92 g/mol
Exact mass: 293.8640 Da
logP: 1.79Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

13301-04-7

SMILES

COC(=O)C1=NC(=CN=C1Br)Br

InChIKey

OHKYQPNNVGHVOT-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Br2N2O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3

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Work with Methyl 3,6-dibromopyrazine-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 6-bromo-2-pyridinecarboxylate26218-75-746 % similar Methyl 5-bromothiazole-4-carboxylate913836-22-346 % similar Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-545 % similar 5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-045 % similar Methyl 2-bromo-6-methyl-4-pyridinecarboxylate884494-71-744 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-343 % similar 2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-442 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-641 % similar

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

Same formula

2,6-Dibromo-4-nitroaniline827-94-1

Elsewhere

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