4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile

C14H9ClN2O — CID 139236742

IUPAC4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(/C=C/c2ccc(Cl)cc2)cc[nH]c1=O
InChIInChI=1S/C14H9ClN2O/c15-12-5-2-10(3-6-12)1-4-11-7-8-17-14(18)13(11)9-16/h1-8H,(H,17,18)/b4-1+
InChIKeyVDNPACNHCNTXNN-DAFODLJHSA-N
MW256.69 g/mol
LogP3.07
Rot. Bonds2

About 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile

4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 139236742) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID139236742
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(/C=C/c2ccc(Cl)cc2)cc[nH]c1=O
InChIInChI=1S/C14H9ClN2O/c15-12-5-2-10(3-6-12)1-4-11-7-8-17-14(18)13(11)9-16/h1-8H,(H,17,18)/b4-1+
InChIKeyVDNPACNHCNTXNN-DAFODLJHSA-N
XLogP3.07
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-5-phenyl-nicotinonitrile
CID 297061
(2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide
CID 2063965
3-(4-chlorophenyl)-2-cyano-N-cyclopropylacrylamide
CID 844501
N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 2496968
5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1479121
5-(4-Chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 2763910
Cinnamamide, N-allyl-4-chloro-alpha,beta-dimethyl-, (E)-
CID 3033177
Cinnamamide, N-allyl-4-chloro-alpha,beta-dimethyl-, (Z)-
CID 3033190
1-Allyl-5-(4-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1476344
5-(4-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1476348
5-(4-Chlorophenyl)-1-isopropyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1476350
1-Allyl-5-(3-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1479137

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 139236742) is 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(/C=C/c2ccc(Cl)cc2)cc[nH]c1=O.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is VDNPACNHCNTXNN-DAFODLJHSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-12-5-2-10(3-6-12)1-4-11-7-8-17-14(18)13(11)9-16/h1-8H,(H,17,18)/b4-1+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile?
4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 256.69 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 139236742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).