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

C24H11Cl5N2O — CID 10218033

IUPAC5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H11Cl5N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-9-17(27)8-18(28)10-19)31-23(21)20-6-5-16(26)11-22(20)29/h1-11H
InChIKeyRXTUAOJEIAWETB-UHFFFAOYSA-N
MW520.63 g/mol
LogP9.35
Rot. Bonds4

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

5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 10218033) has the molecular formula C24H11Cl5N2O and a molecular weight of 520.63 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID10218033
Molecular FormulaC24H11Cl5N2O
Molecular Weight520.63 g/mol
Exact Mass517.93
IUPAC Name5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H11Cl5N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-9-17(27)8-18(28)10-19)31-23(21)20-6-5-16(26)11-22(20)29/h1-11H
InChIKeyRXTUAOJEIAWETB-UHFFFAOYSA-N
XLogP9.35
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile (CID 10218033) is 5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is RXTUAOJEIAWETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11Cl5N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-9-17(27)8-18(28)10-19)31-23(21)20-6-5-16(26)11-22(20)29/h1-11H.
What are the key properties of 5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 520.63 g/mol, XLogP of 9.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10218033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).