5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile

C21H15Cl3N2O — CID 10287827

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile
SMILESCC(C)Oc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#N
InChIInChI=1S/C21H15Cl3N2O/c1-12(2)27-21-14(11-25)9-18(13-3-5-15(22)6-4-13)20(26-21)17-8-7-16(23)10-19(17)24/h3-10,12H,1-2H3
InChIKeyAAZPJOPTMNOCRC-UHFFFAOYSA-N
MW417.72 g/mol
LogP7.03
Rot. Bonds4

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile (PubChem CID 10287827) has the molecular formula C21H15Cl3N2O and a molecular weight of 417.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile
PubChem CID10287827
Molecular FormulaC21H15Cl3N2O
Molecular Weight417.72 g/mol
Exact Mass416.02
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile
SMILESCC(C)Oc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#N
InChIInChI=1S/C21H15Cl3N2O/c1-12(2)27-21-14(11-25)9-18(13-3-5-15(22)6-4-13)20(26-21)17-8-7-16(23)10-19(17)24/h3-10,12H,1-2H3
InChIKeyAAZPJOPTMNOCRC-UHFFFAOYSA-N
XLogP7.03
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.72
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile (CID 10287827) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile is CC(C)Oc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#N.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile?
The InChIKey is AAZPJOPTMNOCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N2O/c1-12(2)27-21-14(11-25)9-18(13-3-5-15(22)6-4-13)20(26-21)17-8-7-16(23)10-19(17)24/h3-10,12H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile has a molecular weight of 417.72 g/mol, XLogP of 7.03, 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-propan-2-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 10287827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).