3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile

C14H12N2O — CID 23269812

IUPAC3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile
SMILESN#CCCn1c(-c2ccccc2)cccc1=O
InChIInChI=1S/C14H12N2O/c15-10-5-11-16-13(8-4-9-14(16)17)12-6-2-1-3-7-12/h1-4,6-9H,5,11H2
InChIKeyPJZXOUXUOQLZHJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.43
Rot. Bonds3

About 3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile

3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile (PubChem CID 23269812) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile.

Molecular Properties

Compound Name3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile
PubChem CID23269812
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile
SMILESN#CCCn1c(-c2ccccc2)cccc1=O
InChIInChI=1S/C14H12N2O/c15-10-5-11-16-13(8-4-9-14(16)17)12-6-2-1-3-7-12/h1-4,6-9H,5,11H2
InChIKeyPJZXOUXUOQLZHJ-UHFFFAOYSA-N
XLogP2.43
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile?
The IUPAC name of 3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile (CID 23269812) is 3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile.
What is the SMILES notation for 3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile?
The canonical SMILES for 3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile is N#CCCn1c(-c2ccccc2)cccc1=O.
What is the InChIKey of 3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile?
The InChIKey is PJZXOUXUOQLZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-10-5-11-16-13(8-4-9-14(16)17)12-6-2-1-3-7-12/h1-4,6-9H,5,11H2.
What are the key properties of 3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile?
3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile has a molecular weight of 224.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-6-phenyl-1-pyridinyl)propanenitrile is sourced from PubChem (CID 23269812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).