(2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile

C16H15FN2O — CID 125488082

IUPAC(2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
SMILESN#C[C@H](c1ccccc1)[C@H](CCO)c1cccc(F)n1
InChIInChI=1S/C16H15FN2O/c17-16-8-4-7-15(19-16)13(9-10-20)14(11-18)12-5-2-1-3-6-12/h1-8,13-14,20H,9-10H2/t13-,14+/m0/s1
InChIKeyASLNWABHXXZTLM-UONOGXRCSA-N
MW270.31 g/mol
LogP2.99
Rot. Bonds5

About (2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile

(2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile (PubChem CID 125488082) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile.

Molecular Properties

Compound Name(2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
PubChem CID125488082
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
SMILESN#C[C@H](c1ccccc1)[C@H](CCO)c1cccc(F)n1
InChIInChI=1S/C16H15FN2O/c17-16-8-4-7-15(19-16)13(9-10-20)14(11-18)12-5-2-1-3-6-12/h1-8,13-14,20H,9-10H2/t13-,14+/m0/s1
InChIKeyASLNWABHXXZTLM-UONOGXRCSA-N
XLogP2.99
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile
CID 125488374
(2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile
CID 125488716
(2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
CID 125488231
(2S,3R)-3-(2-chlorothiophen-3-yl)-5-hydroxy-2-phenylpentanenitrile
CID 125492420
2-(1-cyano-4-hydroxy-2-phenylbutyl)benzonitrile
CID 90479965
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
4-cyano-3,4-diphenylbutanoate
CID 20501978
[(3R,4R)-4-cyano-3-(2,6-difluorophenyl)-4-phenylbutyl] acetate
CID 140712329
2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile
CID 14023164
(2S,3S)-2-(3-bromophenyl)-5-hydroxy-3-(1,3-thiazol-5-yl)pentanenitrile
CID 125495150
(2R,3S)-2-(3-bromophenyl)-5-hydroxy-3-(1,3-thiazol-5-yl)pentanenitrile
CID 125495151
(2S,3R)-2-(2,6-difluorophenyl)-5-hydroxy-3-(1,3-thiazol-5-yl)pentanenitrile
CID 125495080

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile?
The IUPAC name of (2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile (CID 125488082) is (2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile.
What is the SMILES notation for (2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile?
The canonical SMILES for (2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile is N#C[C@H](c1ccccc1)[C@H](CCO)c1cccc(F)n1.
What is the InChIKey of (2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile?
The InChIKey is ASLNWABHXXZTLM-UONOGXRCSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-16-8-4-7-15(19-16)13(9-10-20)14(11-18)12-5-2-1-3-6-12/h1-8,13-14,20H,9-10H2/t13-,14+/m0/s1.
What are the key properties of (2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile?
(2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile has a molecular weight of 270.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile is sourced from PubChem (CID 125488082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).