Basic information
- CAS
80100-26-1- Standard SMILES
OC(c1ccc(F)cc1F)c1cccnc1Cl- InChIKey
DETCBKIOSVYTIW-UHFFFAOYSA-N- Molecular formula
- C12H8ClF2NO
- Average molar mass
- 255.65 g/mol
- Monoisotopic mass
- 255.0262479
Names & identifiers
- Preferred name
- (2-Chloropyridin-3-yl)(2,4-difluorophenyl)methanol
- IUPAC
- (2-chloro-3-pyridinyl)-(2,4-difluorophenyl)methanol
Names & synonyms
80100-26-1DTXSID701000965(2-CHLOROPYRIDIN-3-YL)(2,4-DIFLUOROPHENYL)METHANOLRefChem:1049675DTXCID4014279222-Chloro-alpha-(2,4-difluorophenyl)-3-pyridinemethanol3-Pyridinemethanol, 2-chloro-alpha-(2,4-difluorophenyl)-SCHEMBL10627240
Database identifiers
- CAS
80100-26-1- PubChem CID
- 3061981
- DTXSID
DTXSID701000965
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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