Basic information
- Standard SMILES
Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1c(F)cccc1F- InChIKey
XFHKZERSWQSOML-UHFFFAOYSA-N- Molecular formula
- C19H14F2N2O3
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 356.09724864
Names & identifiers
- Preferred name
- 4-[6-Amino-5-(2,6-difluoro-benzyloxy)-pyridin-3-yl]-benzoic acid
- IUPAC
- 4-[6-amino-5-[(2,6-difluorophenyl)methoxy]-3-pyridinyl]benzoic acid
Names & synonyms
SCHEMBL487688SCHEMBL30454464XFHKZERSWQSOML-UHFFFAOYSA-N4-[6-amino-5-(2,6-difluoro-benzyloxy)-pyridin-3-yl]-benzoic acid
Database identifiers
- PubChem CID
- 21111235
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Related reactions
3 records
Compound notes
Loading…