Basic information
- Standard SMILES
CSc1ccc(C(O)c2ccc(F)nc2)cc1- InChIKey
FBACHQFIKMZYGC-UHFFFAOYSA-N- Molecular formula
- C13H12FNOS
- Average molar mass
- 249.31 g/mol
Names & identifiers
- Preferred name
- (6-Fluoropyridin-3-yl)(4-(methylthio)phenyl)methanol
- IUPAC
- (6-fluoro-3-pyridinyl)-(4-methylsulfanylphenyl)methanol
Names & synonyms
(6-fluoropyridin-3-yl)(4-(methylthio)phenyl)methanolSCHEMBL116107FBACHQFIKMZYGC-UHFFFAOYSA-NDB-1793211253570-04-5
Database identifiers
- PubChem CID
- 59548286
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
Related reactions
9 records
Compound notes
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