chempirical

Ethyl 5-bromo-6-methyl-2-oxo-1H-pyrazine-3-carboxylate

C8H9BrN2O3CAS 1269026-22-3261.07 g/mol

Open in Covalent MOL file
OONNHOBr
Aryl halideEster

Properties

Molecular formula
C8H9BrN2O3
Molar mass
261.07 g/mol
Exact mass
259.9797 Da
logP
1.02Crippen estimate
Polar surface area
72.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
1269026-22-3
SMILES
CCOC(=O)C1=NC(=C(NC1=O)C)Br
InChIKey
POYHGPKBZHOUBJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrN2O3/c1-3-14-8(13)5-7(12)10-4(2)6(9)11-5/h3H2,1-2H3,(H,10,12)

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Names and synonyms

1 names
  • Ethyl 6-bromo-3-hydroxy-5-methylpyrazine-2-carboxylate

Work with Ethyl 5-bromo-6-methyl-2-oxo-1H-pyrazine-3-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

Diethyl 2-propylimidazole-4,5-dicarboxylate144689-94-142 % similar Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-142 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-340 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-340 % similar Ethyl 3-indazolecarboxylate4498-68-439 % similar Ethyl 4-bromobenzoate5798-75-439 % similar Ethyl 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-propanoate54278-10-339 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-039 % similar

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

Elsewhere

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