Basic information
- Standard SMILES
COC(=O)c1cnc(N)c(-c2ccc(F)cc2)n1- InChIKey
KGLYICHUFXQCOT-UHFFFAOYSA-N- Molecular formula
- C12H10FN3O2
- Average molar mass
- 247.22 g/mol
Names & identifiers
- Preferred name
- 5-Amino-6-(4-fluoro-phenyl)-pyrazine-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate
Names & synonyms
SCHEMBL2701893KGLYICHUFXQCOT-UHFFFAOYSA-NAT52965methyl 5-amino-6-(4-fluorophenyl)pyrazine-2-carboxylate5-Amino-6-(4-fluoro-phenyl)-pyrazine-2-carboxylic acid methyl ester960247-69-2
Database identifiers
- PubChem CID
- 67504641
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
9 records
Compound notes
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