Basic information
- Standard SMILES
O=C(O)c1cnc(N2CCCC2)c(OCc2ccc(F)cc2)n1- InChIKey
LEQWNUAJNZDQRH-UHFFFAOYSA-N- Molecular formula
- C16H16FN3O3
- Average molar mass
- 317.31 g/mol
Names & identifiers
- Preferred name
- 6-(4-Fluoro-benzyloxy)-5-pyrrolidin-1-yl-pyrazine-2-carboxylic acid
- IUPAC
- 6-[(4-fluorophenyl)methoxy]-5-pyrrolidin-1-ylpyrazine-2-carboxylic acid
Names & synonyms
SCHEMBL3247311LEQWNUAJNZDQRH-UHFFFAOYSA-N6-(4-Fluoro-benzyloxy)-5-pyrrolidin-1-yl-pyrazine-2-carboxylic acid
Database identifiers
- PubChem CID
- 68565288
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Related reactions
2 records
Compound notes
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