Basic information
- Standard SMILES
OCCOc1ccc(C#Cc2ncc(-c3ccc(Cl)cc3)cc2F)cc1- InChIKey
KIKNAKRRXJKSDB-UHFFFAOYSA-N- Molecular formula
- C21H15ClFNO2
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.0775346
Names & identifiers
- Preferred name
- 2-{4-[5-(4-Chlorophenyl)-3-fluoropyridin-2-ylethynyl]phenoxy}ethanol
- IUPAC
- 2-[4-[2-[5-(4-chlorophenyl)-3-fluoro-2-pyridinyl]ethynyl]phenoxy]ethanol
Names & synonyms
SCHEMBL4479820KIKNAKRRXJKSDB-UHFFFAOYSA-N2-{4-[5-(4-chloro-phenyl)-3-fluoro-pyridin-2-ylethynyl]-phenoxy}-ethanol2-{4-[5-(4-chlorophenyl)-3-fluoropyridin-2-ylethynyl]phenoxy}ethanol
Database identifiers
- PubChem CID
- 69059109
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 489
Related reactions
3 records
Compound notes
Loading…