3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile

C14H12N2O — CID 23339927

IUPAC3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile
SMILESN#CC(CO)(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H12N2O/c15-10-14(11-17,12-6-2-1-3-7-12)13-8-4-5-9-16-13/h1-9,17H,11H2
InChIKeyIHEXEYPNLFKPFE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.88
Rot. Bonds3

About 3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile

3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile (PubChem CID 23339927) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile
PubChem CID23339927
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile
SMILESN#CC(CO)(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H12N2O/c15-10-14(11-17,12-6-2-1-3-7-12)13-8-4-5-9-16-13/h1-9,17H,11H2
InChIKeyIHEXEYPNLFKPFE-UHFFFAOYSA-N
XLogP1.88
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile?
The IUPAC name of 3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile (CID 23339927) is 3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile.
What is the SMILES notation for 3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile?
The canonical SMILES for 3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile is N#CC(CO)(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile?
The InChIKey is IHEXEYPNLFKPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-10-14(11-17,12-6-2-1-3-7-12)13-8-4-5-9-16-13/h1-9,17H,11H2.
What are the key properties of 3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile?
3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile has a molecular weight of 224.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 23339927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).