2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile

C24H12Cl4N2O — CID 10311098

IUPAC2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C24H12Cl4N2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-5-17(26)6-9-19)30-23(21)20-10-7-18(27)12-22(20)28/h1-12H
InChIKeyOMLGPXXIQYFOSM-UHFFFAOYSA-N
MW486.19 g/mol
LogP8.69
Rot. Bonds4

About 2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile

2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 10311098) has the molecular formula C24H12Cl4N2O and a molecular weight of 486.19 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID10311098
Molecular FormulaC24H12Cl4N2O
Molecular Weight486.19 g/mol
Exact Mass483.97
IUPAC Name2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C24H12Cl4N2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-5-17(26)6-9-19)30-23(21)20-10-7-18(27)12-22(20)28/h1-12H
InChIKeyOMLGPXXIQYFOSM-UHFFFAOYSA-N
XLogP8.69
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.19
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile (CID 10311098) is 2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is OMLGPXXIQYFOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Cl4N2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-5-17(26)6-9-19)30-23(21)20-10-7-18(27)12-22(20)28/h1-12H.
What are the key properties of 2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 486.19 g/mol, XLogP of 8.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10311098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).