Methyl 3-amino-6-bromopyrazine-2-carboxylate

C₆H₆BrN₃O₂CAS 6966-01-4232.04 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₆H₆BrN₃O₂
Molar mass: 232.04 g/mol
Exact mass: 230.9643 Da
logP: 0.61Crippen estimate
Polar surface area: 78.1 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

Hazards

Warning

H317 May cause an allergic skin reaction93% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

6966-01-4

SMILES

COC(=O)C1=NC(=CN=C1N)Br

InChIKey

CNXSIRHOIFRMOB-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)

Weigh it out

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Work with Methyl 3-amino-6-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-carboxylate13301-04-768 % similar Methyl 3-amino-6-chloropyrazine-2-carboxylate1458-03-365 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-658 % similar 3-Amino-6-bromo-2-pyrazinecarboxylic acid486424-37-757 % similar Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate1458-18-053 % similar Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate1458-01-151 % similar 2-Amino-5-bromo-3-methoxypyrazine5900-13-050 % similar Methyl 6-amino-5-bromopicolinate178876-82-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-bromo-4-methyl-3-nitropyridine100367-40-6 2-Amino-3-bromo-6-methyl-5-nitropyridine150935-62-9

Elsewhere

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