Basic information
- Standard SMILES
O=C(O)c1cc(F)c(Oc2cnc(OCC3CC(F)(F)C3)c(Cl)c2)cc1F- InChIKey
AWMPYQIPSVQFBT-UHFFFAOYSA-N- Molecular formula
- C17H12ClF4NO4
- Average molar mass
- 405.7 g/mol
Names & identifiers
- Preferred name
- 4-({5-Chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridin-3-yl}oxy)-2,5-difluorobenzoic acid
- IUPAC
- 4-[[5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]-3-pyridinyl]oxy]-2,5-difluorobenzoic acid
Names & synonyms
SCHEMBL365261AWMPYQIPSVQFBT-UHFFFAOYSA-N4-({5-Chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridin-3-yl}oxy)-2,5-difluorobenzoic acid
Database identifiers
- PubChem CID
- 58042407
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 535
Related reactions
2 records
Compound notes
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