Methyl 3-chloropyrazine-2-carboxylate

C6H5ClN2O2CAS 27825-21-4172.57 g/mol

Open in Covalent MOL file
OONNCl
Aryl halideEster

Properties

Molecular formula
C6H5ClN2O2
Molar mass
172.57 g/mol
Exact mass
172.0040 Da
Melting point
31–32 °C
logP
0.92Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
27825-21-4
SMILES
COC(=O)c1nccnc1Cl
InChIKey
SSXOFWYPCZOGBM-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

4 names
  • 2-Pyrazinecarboxylic acid, 3-chloro-, methyl ester
  • Pyrazinecarboxylic acid, 3-chloro-, methyl ester
  • Pyrazinoic acid, 3-chloro-, methyl ester
  • 3-Chloro-2-pyrazinecarboxylic acid methyl ester

Work with Methyl 3-chloropyrazine-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

2-Amino-3-(methoxycarbonyl)pyrazine16298-03-659 % similar Methyl 3-bromopyrazine-2-carboxylate51171-02-959 % similar Methyl 2-chloronicotinate40134-18-758 % similar Methyl 3-amino-2-chloroisonicotinate173435-41-155 % similar Methyl 3-fluoropyridine-2-carboxylate869108-35-054 % similar Methyl 2,5,6-trichloropyrimidine-4-carboxylate89284-85-554 % similar Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate1458-18-053 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 6-chloropyridazine-4-carboxylate1093860-48-0 5-Chloro-2-methyl-3-nitropyridine1211533-93-5 2-Chloro-4-nitroaniline121-87-9 Methyl 2-chloropyrimidine-4-carboxylate149849-94-5 5-Chloro-2-nitroaniline1635-61-6 2-Chloro-3-methyl-5-nitropyridine22280-56-4 6-Chloro-2-methyl-3-nitropyridine22280-60-0 2-Chloro-4-methyl-5-nitropyridine23056-33-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook