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

C24H11Cl3F2N2O — CID 10174286

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)19-9-14(12-30)24(32-17-6-8-21(28)22(29)11-17)31-23(19)18-7-5-16(26)10-20(18)27/h1-11H
InChIKeyOMIHQKYKCRPXPH-UHFFFAOYSA-N
MW487.72 g/mol
LogP8.32
Rot. Bonds4

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

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile (PubChem CID 10174286) has the molecular formula C24H11Cl3F2N2O and a molecular weight of 487.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile
PubChem CID10174286
Molecular FormulaC24H11Cl3F2N2O
Molecular Weight487.72 g/mol
Exact Mass485.99
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)19-9-14(12-30)24(32-17-6-8-21(28)22(29)11-17)31-23(19)18-7-5-16(26)10-20(18)27/h1-11H
InChIKeyOMIHQKYKCRPXPH-UHFFFAOYSA-N
XLogP8.32
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.72
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile (CID 10174286) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile?
The InChIKey is OMIHQKYKCRPXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)19-9-14(12-30)24(32-17-6-8-21(28)22(29)11-17)31-23(19)18-7-5-16(26)10-20(18)27/h1-11H.
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile has a molecular weight of 487.72 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 10174286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).