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

C20H14Cl3N3 — CID 91428194

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#N
InChIInChI=1S/C20H14Cl3N3/c1-26(2)20-13(11-24)9-17(12-3-5-14(21)6-4-12)19(25-20)16-8-7-15(22)10-18(16)23/h3-10H,1-2H3
InChIKeyYBVDJOUSAXMSLD-UHFFFAOYSA-N
MW402.71 g/mol
LogP6.31
Rot. Bonds3

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

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile (PubChem CID 91428194) has the molecular formula C20H14Cl3N3 and a molecular weight of 402.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
PubChem CID91428194
Molecular FormulaC20H14Cl3N3
Molecular Weight402.71 g/mol
Exact Mass401.03
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#N
InChIInChI=1S/C20H14Cl3N3/c1-26(2)20-13(11-24)9-17(12-3-5-14(21)6-4-12)19(25-20)16-8-7-15(22)10-18(16)23/h3-10H,1-2H3
InChIKeyYBVDJOUSAXMSLD-UHFFFAOYSA-N
XLogP6.31
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.71
LogP ≤ 56.31
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-(dimethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile (CID 91428194) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile is CN(C)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#N.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile?
The InChIKey is YBVDJOUSAXMSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3N3/c1-26(2)20-13(11-24)9-17(12-3-5-14(21)6-4-12)19(25-20)16-8-7-15(22)10-18(16)23/h3-10H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile has a molecular weight of 402.71 g/mol, XLogP of 6.31, 3 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-(dimethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 91428194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).