Basic information
- Standard SMILES
O=C(O)c1ccc(F)c(-c2c(F)cc(C3(O)CCC3)cc2F)n1- InChIKey
VMOORWLVGUKZAL-UHFFFAOYSA-N- Molecular formula
- C16H12F3NO3
- Average molar mass
- 323.27 g/mol
- Monoisotopic mass
- 323.07692773
Names & identifiers
- Preferred name
- 6-(2,6-Difluoro-4-(1-hydroxycyclobutyl)phenyl)-5-fluoropicolinic acid
- IUPAC
- 6-[2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl]-5-fluoropyridine-2-carboxylic acid
Names & synonyms
SCHEMBL12078598VMOORWLVGUKZAL-UHFFFAOYSA-N6-(2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl)-5-fluoropicolinic acid
Database identifiers
- PubChem CID
- 70655422
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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