Basic information
- Standard SMILES
CCNc1nc(OC)c(C(=O)O)nc1Cl- InChIKey
ZBVYLXKCFPUFLC-UHFFFAOYSA-N- Molecular formula
- C8H10ClN3O3
- Average molar mass
- 231.63 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-5-ethylamino-3-methoxypyrazine-2-carboxylic acid
- IUPAC
- 6-chloro-5-(ethylamino)-3-methoxypyrazine-2-carboxylic acid
Names & synonyms
SCHEMBL11740403ZBVYLXKCFPUFLC-UHFFFAOYSA-N6-chloro-5-ethylamino-3-methoxypyrazine-2-carboxylic acid
Database identifiers
- PubChem CID
- 21419081
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
2 records
Compound notes
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