Basic information
- CAS
80100-31-8- Standard SMILES
OC(c1ccc(F)cc1)c1ccc(Cl)nc1- InChIKey
WFNZDDQFMVDKTF-UHFFFAOYSA-N- Molecular formula
- C12H9ClFNO
- Average molar mass
- 237.66 g/mol
- Monoisotopic mass
- 237.0356698
Names & identifiers
- Preferred name
- 3-Pyridinemethanol, 6-chloro-alpha-(4-fluorophenyl)-
- IUPAC
- (6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol
- English name
- 3-Pyridinemethanol, 6-chloro-alpha-(4-fluorophenyl)-
- Molecular formula
- C12H9ClFNO
- Molecular weight
- 237.66
Names & synonyms
80100-31-83-Pyridinemethanol, 6-chloro-alpha-(4-fluorophenyl)-RefChem:10687076-Chloro-alpha-(4-fluorophenyl)-3-pyridinemethanol(6-Chloro-3-pyridinyl)(4-fluorophenyl)methanolSCHEMBL10628639DTXSID101000967AKOS017547924(6-CHLOROPYRIDIN-3-YL)(4-FLUOROPHENYL)METHANOL6-Chloro-α-(4-fluorophenyl)-3-pyridinemethanol3-Pyridinemethanol, 6-chloro-α-(4-fluorophenyl)-
Database identifiers
- CAS
80100-31-8- PubChem CID
- 3061983
- DTXSID
DTXSID101000967
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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