(1S,2R)-6-Fluoro-4'-(2-hydroxy-1-methyl-4-pyridin-3-yl-butoxy)-biphenyl-3-carbonitrile

HCID 53886355
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Basic information

Standard SMILES
C[C@H](Oc1ccc(-c2cc(C#N)ccc2F)cc1)[C@H](O)CCc1cccnc1
InChIKey
HNKWJNIRQMOJIP-QMHKHESXSA-N
Molecular formula
C23H21FN2O2
Average molar mass
376.4 g/mol

Names & identifiers

Preferred name
(1S,2R)-6-Fluoro-4'-(2-hydroxy-1-methyl-4-pyridin-3-yl-butoxy)-biphenyl-3-carbonitrile
IUPAC
4-fluoro-3-[4-[(2S,3R)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]benzonitrile

Names & synonyms

SCHEMBL7966320HNKWJNIRQMOJIP-QMHKHESXSA-N(1S,2R)-6-Fluoro-4'-(2-hydroxy-1-methyl-4-pyridin-3-yl-butoxy)-biphenyl-3-carbonitrile

Database identifiers

PubChem CID
53886355

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
28

Related reactions

1 records
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Linked notes

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