(2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile

C16H15ClN2O — CID 125488231

IUPAC(2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
SMILESN#C[C@@H](c1ccccc1)[C@@H](CCO)c1ccc(Cl)cn1
InChIInChI=1S/C16H15ClN2O/c17-13-6-7-16(19-11-13)14(8-9-20)15(10-18)12-4-2-1-3-5-12/h1-7,11,14-15,20H,8-9H2/t14-,15+/m1/s1
InChIKeyOQERMCPGPIBVIU-CABCVRRESA-N
MW286.76 g/mol
LogP3.51
Rot. Bonds5

About (2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile

(2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile (PubChem CID 125488231) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile.

Molecular Properties

Compound Name(2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
PubChem CID125488231
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
SMILESN#C[C@@H](c1ccccc1)[C@@H](CCO)c1ccc(Cl)cn1
InChIInChI=1S/C16H15ClN2O/c17-13-6-7-16(19-11-13)14(8-9-20)15(10-18)12-4-2-1-3-5-12/h1-7,11,14-15,20H,8-9H2/t14-,15+/m1/s1
InChIKeyOQERMCPGPIBVIU-CABCVRRESA-N
XLogP3.51
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
CID 125488082
(2S,3R)-3-(2-chlorothiophen-3-yl)-5-hydroxy-2-phenylpentanenitrile
CID 125492420
(2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile
CID 125488374
2-(4-chlorophenyl)-3-phenylpentanedinitrile
CID 14202275
3-(4-chlorophenyl)-4-cyano-4-phenylbutanoic acid
CID 12834926
(2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile
CID 125488716
2-(1-cyano-4-hydroxy-2-phenylbutyl)benzonitrile
CID 90479965
3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile
CID 11428266
(4S,5S)-4-(3-chlorophenyl)-5-(5-chloro-2-pyridinyl)-5-hydroxypentanoic acid
CID 175121808
3-amino-3-(5-chloro-2-pyridinyl)propanenitrile
CID 55295263
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
4-[(R)-(5-chloro-2-pyridinyl)-phenylmethyl]piperidin-4-ol
CID 169123476

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile?
The IUPAC name of (2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile (CID 125488231) is (2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile.
What is the SMILES notation for (2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile?
The canonical SMILES for (2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile is N#C[C@@H](c1ccccc1)[C@@H](CCO)c1ccc(Cl)cn1.
What is the InChIKey of (2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile?
The InChIKey is OQERMCPGPIBVIU-CABCVRRESA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-6-7-16(19-11-13)14(8-9-20)15(10-18)12-4-2-1-3-5-12/h1-7,11,14-15,20H,8-9H2/t14-,15+/m1/s1.
What are the key properties of (2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile?
(2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile has a molecular weight of 286.76 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile is sourced from PubChem (CID 125488231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).