Basic information
- Standard SMILES
COC(=O)c1cnc(N)c(-c2ccc(Cl)cc2)n1- InChIKey
LODHOJSCFLEEPR-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3O2
- Average molar mass
- 263.68 g/mol
Names & identifiers
- Preferred name
- 5-Amino-6-(4-chloro-phenyl)-pyrazine-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-amino-6-(4-chlorophenyl)pyrazine-2-carboxylate
Names & synonyms
SCHEMBL2702037LODHOJSCFLEEPR-UHFFFAOYSA-N5-amino-6-(4-chloro-phenyl)-pyrazine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 67504683
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
3 records
Compound notes
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