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

C7H7ClN2O2CAS 77168-85-5186.59 g/mol

Open in Covalent MOL file
OONClN
Aryl halideEster

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 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

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

Weigh it out

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

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

Methyl 5-chloropyrazine-2-carboxylate33332-25-154 % similar Methyl 6-chloropyrazine-2-carboxylate23611-75-853 % similar Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-651 % similar Methyl5-fluoro-6-methylpicolinate1245647-61-350 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-549 % similar 2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate5371-70-049 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-849 % similar Methyl 5-bromo-6-chloropyridine-3-carboxylate78686-77-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-4-nitro-o-toluidine13852-51-2 4-Chloro-2,6-dimethyl-3-nitropyridine15513-48-1 Methyl 3-amino-2-chloroisonicotinate173435-41-1 4-Chloro-2-methyl-6-nitroaniline62790-50-5 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-pyrimidine-5-carboxylic acid ethyl ester89793-12-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook