2-{4-[5-(4-Chlorophenyl)-3-fluoropyridin-2-ylethynyl]phenoxy}ethanol

HCID 69059109

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

Related reactions

3 records

Compound notes

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