chempirical

Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

C6H5Cl2N3O2CAS 1458-18-0222.03 g/mol

Open in Covalent MOL file
OONClClNH2N
Aryl halideEsterPrimary amine

Properties

Molecular formula
C6H5Cl2N3O2
Molar mass
222.03 g/mol
Exact mass
220.9759 Da
Melting point
233–234 °C
logP
1.15Crippen estimate
Polar surface area
78.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Identifiers

CAS number
1458-18-0
SMILES
COC(=O)c1nc(Cl)c(Cl)nc1N
InChIKey
USYMCUGEGUFUBI-UHFFFAOYSA-N
InChI
InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)

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Names and synonyms

3 names
  • 2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester
  • Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester
  • 3-Amino-5,6-dichloropyrazine-2-carboxylic acid methyl ester

Work with Methyl 3-amino-5,6-dichloropyrazine-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 3,5-diamino-6-chloropyrazine-2-carboxylate1458-01-184 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-653 % similar Methyl 3-chloropyrazine-2-carboxylate27825-21-453 % similar 2,3-Dimethyl 6-chloro-2,3-pyridinedicarboxylate32383-03-245 % similar Methyl 5-chloro-6-methylpyrazine-2-carboxylate77168-85-543 % similar Methyl 2,6-dichloroisonicotinate42521-09-542 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-842 % similar Methyl 3-amino-2-pyridinecarboxylate36052-27-441 % similar

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

Elsewhere

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