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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate53135-24-347 % similar Ethyl 2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate3424-43-946 % similar Ethyl 5-bromo-1,3-thiazole-4-carboxylate61830-23-745 % similar Ethyl 4-quinazolone-2-carboxylate29113-33-544 % similar Ethyl 6-bromopicolinate21190-88-544 % similar Ethyl 6-bromo-1H-pyrrolo[2,3-B]pyridine-2-carboxylate577711-94-543 % similar Ethyl 2-bromonicotinate53087-78-843 % similar 2,4-Dimethyl-3,5-dicarbethoxypyrrole2436-79-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook