(2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile

C17H18N2O2 — CID 125488374

IUPAC(2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile
SMILESCOc1cccc([C@H](CCO)[C@@H](C#N)c2ccccc2)n1
InChIInChI=1S/C17H18N2O2/c1-21-17-9-5-8-16(19-17)14(10-11-20)15(12-18)13-6-3-2-4-7-13/h2-9,14-15,20H,10-11H2,1H3/t14-,15+/m1/s1
InChIKeyVJJSECHVMWRESO-CABCVRRESA-N
MW282.34 g/mol
LogP2.86
Rot. Bonds6

About (2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile

(2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile (PubChem CID 125488374) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile.

Molecular Properties

Compound Name(2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile
PubChem CID125488374
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile
SMILESCOc1cccc([C@H](CCO)[C@@H](C#N)c2ccccc2)n1
InChIInChI=1S/C17H18N2O2/c1-21-17-9-5-8-16(19-17)14(10-11-20)15(12-18)13-6-3-2-4-7-13/h2-9,14-15,20H,10-11H2,1H3/t14-,15+/m1/s1
InChIKeyVJJSECHVMWRESO-CABCVRRESA-N
XLogP2.86
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-(6-fluoro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
CID 125488082
(2R,3R)-3-(5-chloro-2-pyridinyl)-5-hydroxy-2-phenylpentanenitrile
CID 125488231
3-chloro-2-(6-methoxy-2-pyridinyl)propanenitrile
CID 63588572
methyl 4-cyano-3,4-diphenylbutanoate
CID 11780891
2-(1-cyano-4-hydroxy-2-phenylbutyl)benzonitrile
CID 90479965
(2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile
CID 125488716
2-[(6-methoxy-2-pyridinyl)oxy]ethanol
CID 139263973
ethane;5-methoxy-2,3-diphenylhex-5-enenitrile
CID 159295658
(2S,3R)-3-(2-chlorothiophen-3-yl)-5-hydroxy-2-phenylpentanenitrile
CID 125492420
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
3-(6-methoxy-2-pyridinyl)-1-phenylpropan-1-ol
CID 79423728
ethyl 4-cyano-4-(4-methoxyphenyl)-3-phenylbutanoate
CID 12835005

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile?
The IUPAC name of (2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile (CID 125488374) is (2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile.
What is the SMILES notation for (2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile?
The canonical SMILES for (2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile is COc1cccc([C@H](CCO)[C@@H](C#N)c2ccccc2)n1.
What is the InChIKey of (2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile?
The InChIKey is VJJSECHVMWRESO-CABCVRRESA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-17-9-5-8-16(19-17)14(10-11-20)15(12-18)13-6-3-2-4-7-13/h2-9,14-15,20H,10-11H2,1H3/t14-,15+/m1/s1.
What are the key properties of (2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile?
(2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile has a molecular weight of 282.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-hydroxy-3-(6-methoxy-2-pyridinyl)-2-phenylpentanenitrile is sourced from PubChem (CID 125488374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).