2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C25H13Cl2F3N2O — CID 2767458

IUPAC2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C25H13Cl2F3N2O/c26-18-6-4-15(5-7-18)21-13-23(16-2-1-3-17(12-16)25(28,29)30)32-24(22(21)14-31)33-20-10-8-19(27)9-11-20/h1-13H
InChIKeyDKTVMEBMSXZSEM-UHFFFAOYSA-N
MW485.29 g/mol
LogP8.41
Rot. Bonds4

About 2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 2767458) has the molecular formula C25H13Cl2F3N2O and a molecular weight of 485.29 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID2767458
Molecular FormulaC25H13Cl2F3N2O
Molecular Weight485.29 g/mol
Exact Mass484.04
IUPAC Name2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C25H13Cl2F3N2O/c26-18-6-4-15(5-7-18)21-13-23(16-2-1-3-17(12-16)25(28,29)30)32-24(22(21)14-31)33-20-10-8-19(27)9-11-20/h1-13H
InChIKeyDKTVMEBMSXZSEM-UHFFFAOYSA-N
XLogP8.41
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.29
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 2767458) is 2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is DKTVMEBMSXZSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13Cl2F3N2O/c26-18-6-4-15(5-7-18)21-13-23(16-2-1-3-17(12-16)25(28,29)30)32-24(22(21)14-31)33-20-10-8-19(27)9-11-20/h1-13H.
What are the key properties of 2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 485.29 g/mol, XLogP of 8.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-4-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 2767458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).