Methyl 5-chloro-6-methylpyrazine-2-carboxylate

C₇H₇ClN₂O₂CAS 77168-85-5186.59 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₇ClN₂O₂
Molar mass: 186.59 g/mol
Exact mass: 186.0196 Da
Melting point: 40–43 °C
logP: 1.23Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

77168-85-5

SMILES

COC(=O)c1cnc(Cl)c(C)n1

InChIKey

GGNGFNQPYMKDDR-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN2O2/c1-4-6(8)9-3-5(10-4)7(11)12-2/h3H,1-2H3

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Names and synonyms

2 names

2-Pyrazinecarboxylic acid, 5-chloro-6-methyl-, methyl ester
Pyrazinecarboxylic acid, 5-chloro-6-methyl-, methyl ester

Work with Methyl 5-chloro-6-methylpyrazine-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

Methyl5-fluoro-6-methylpicolinate1245647-61-350 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-549 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-849 % similar Methyl 5-bromo-2-chloronicotinate78686-79-048 % similar Methyl 3-chloropyrazine-2-carboxylate27825-21-448 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-446 % similar 2-Chloro-3,5-dimethylpyrazine38557-72-146 % similar Methyl 2-pyrazinecarboxylate6164-79-045 % similar

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

Same formula

5-Chloro-2-methyl-4-nitrobenzenamine13852-51-2 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-6 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-6 Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-1 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-4

Elsewhere

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