5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile

C25H14Cl4N2O — CID 10289123

IUPAC5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1cccc(Cl)c1
InChIInChI=1S/C25H14Cl4N2O/c26-18-6-4-16(5-7-18)22-11-17(13-30)25(32-14-15-2-1-3-19(27)10-15)31-24(22)21-9-8-20(28)12-23(21)29/h1-12H,14H2
InChIKeyMJPHWVJHMTWHPX-UHFFFAOYSA-N
MW500.21 g/mol
LogP8.48
Rot. Bonds5

About 5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile

5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 10289123) has the molecular formula C25H14Cl4N2O and a molecular weight of 500.21 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID10289123
Molecular FormulaC25H14Cl4N2O
Molecular Weight500.21 g/mol
Exact Mass497.99
IUPAC Name5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1cccc(Cl)c1
InChIInChI=1S/C25H14Cl4N2O/c26-18-6-4-16(5-7-18)22-11-17(13-30)25(32-14-15-2-1-3-19(27)10-15)31-24(22)21-9-8-20(28)12-23(21)29/h1-12H,14H2
InChIKeyMJPHWVJHMTWHPX-UHFFFAOYSA-N
XLogP8.48
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.21
LogP ≤ 58.48
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-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile (CID 10289123) is 5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1cccc(Cl)c1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is MJPHWVJHMTWHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Cl4N2O/c26-18-6-4-16(5-7-18)22-11-17(13-30)25(32-14-15-2-1-3-19(27)10-15)31-24(22)21-9-8-20(28)12-23(21)29/h1-12H,14H2.
What are the key properties of 5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile?
5-(4-chlorophenyl)-2-[(3-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 500.21 g/mol, XLogP of 8.48, 5 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-chlorophenyl)methoxy]-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10289123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).