2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile

C15H11ClN2O — CID 82143768

IUPAC2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile
SMILESN#CCn1ccc(/C=C/c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C15H11ClN2O/c16-14-5-3-12(4-6-14)1-2-13-7-9-18(10-8-17)15(19)11-13/h1-7,9,11H,10H2/b2-1+
InChIKeyQTLWMDOJIDYKDW-OWOJBTEDSA-N
MW270.72 g/mol
LogP3.20
Rot. Bonds3

About 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile

2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile (PubChem CID 82143768) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile
PubChem CID82143768
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile
SMILESN#CCn1ccc(/C=C/c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C15H11ClN2O/c16-14-5-3-12(4-6-14)1-2-13-7-9-18(10-8-17)15(19)11-13/h1-7,9,11H,10H2/b2-1+
InChIKeyQTLWMDOJIDYKDW-OWOJBTEDSA-N
XLogP3.20
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 82151139
4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile
CID 82152044
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
CID 82063259
1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one
CID 82063293
1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
CID 82063295
1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
CID 66772159
4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile
CID 82150701
1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
CID 141391243
3-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanethioamide
CID 82151233
5-chloro-1-[(E)-3-phenylprop-2-enyl]pyridin-2-one
CID 901048
5-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-1-methylbenzimidazole
CID 67635147
2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile
CID 43839869

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile (CID 82143768) is 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile is N#CCn1ccc(/C=C/c2ccc(Cl)cc2)cc1=O.
What is the InChIKey of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile?
The InChIKey is QTLWMDOJIDYKDW-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-14-5-3-12(4-6-14)1-2-13-7-9-18(10-8-17)15(19)11-13/h1-7,9,11H,10H2/b2-1+.
What are the key properties of 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile?
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile has a molecular weight of 270.72 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile is sourced from PubChem (CID 82143768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).