5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile

C24H11Cl3N4O — CID 69415174

IUPAC5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1-n1cccc(C#N)c1=O
InChIInChI=1S/C24H11Cl3N4O/c25-17-5-3-14(4-6-17)20-10-16(13-29)23(31-9-1-2-15(12-28)24(31)32)30-22(20)19-8-7-18(26)11-21(19)27/h1-11H
InChIKeyMOBIUQFYIKZZIE-UHFFFAOYSA-N
MW477.74 g/mol
LogP6.27
Rot. Bonds3

About 5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile

5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 69415174) has the molecular formula C24H11Cl3N4O and a molecular weight of 477.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID69415174
Molecular FormulaC24H11Cl3N4O
Molecular Weight477.74 g/mol
Exact Mass476.00
IUPAC Name5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1-n1cccc(C#N)c1=O
InChIInChI=1S/C24H11Cl3N4O/c25-17-5-3-14(4-6-17)20-10-16(13-29)23(31-9-1-2-15(12-28)24(31)32)30-22(20)19-8-7-18(26)11-21(19)27/h1-11H
InChIKeyMOBIUQFYIKZZIE-UHFFFAOYSA-N
XLogP6.27
TPSA82.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.74
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile (CID 69415174) is 5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1-n1cccc(C#N)c1=O.
What is the InChIKey of 5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is MOBIUQFYIKZZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11Cl3N4O/c25-17-5-3-14(4-6-17)20-10-16(13-29)23(31-9-1-2-15(12-28)24(31)32)30-22(20)19-8-7-18(26)11-21(19)27/h1-11H.
What are the key properties of 5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 477.74 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 69415174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).