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

C25H15Cl3N2O2 — CID 10311022

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
SMILESCOc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2C#N)cc1
InChIInChI=1S/C25H15Cl3N2O2/c1-31-19-7-9-20(10-8-19)32-25-16(14-29)12-22(15-2-4-17(26)5-3-15)24(30-25)21-11-6-18(27)13-23(21)28/h2-13H,1H3
InChIKeyQIERXXZDSLXNAV-UHFFFAOYSA-N
MW481.77 g/mol
LogP8.05
Rot. Bonds5

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

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile (PubChem CID 10311022) has the molecular formula C25H15Cl3N2O2 and a molecular weight of 481.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
PubChem CID10311022
Molecular FormulaC25H15Cl3N2O2
Molecular Weight481.77 g/mol
Exact Mass480.02
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
SMILESCOc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2C#N)cc1
InChIInChI=1S/C25H15Cl3N2O2/c1-31-19-7-9-20(10-8-19)32-25-16(14-29)12-22(15-2-4-17(26)5-3-15)24(30-25)21-11-6-18(27)13-23(21)28/h2-13H,1H3
InChIKeyQIERXXZDSLXNAV-UHFFFAOYSA-N
XLogP8.05
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.77
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile (CID 10311022) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile is COc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2C#N)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile?
The InChIKey is QIERXXZDSLXNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl3N2O2/c1-31-19-7-9-20(10-8-19)32-25-16(14-29)12-22(15-2-4-17(26)5-3-15)24(30-25)21-11-6-18(27)13-23(21)28/h2-13H,1H3.
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile has a molecular weight of 481.77 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 10311022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).