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

C19H12Cl3N3 — CID 68718291

IUPAC6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1C#N
InChIInChI=1S/C19H12Cl3N3/c1-24-19-12(10-23)8-16(15-7-6-14(21)9-17(15)22)18(25-19)11-2-4-13(20)5-3-11/h2-9H,1H3,(H,24,25)
InChIKeyILQITHRNHHRPFG-UHFFFAOYSA-N
MW388.69 g/mol
LogP6.29
Rot. Bonds3

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

6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile (PubChem CID 68718291) has the molecular formula C19H12Cl3N3 and a molecular weight of 388.69 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
PubChem CID68718291
Molecular FormulaC19H12Cl3N3
Molecular Weight388.69 g/mol
Exact Mass387.01
IUPAC Name6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1C#N
InChIInChI=1S/C19H12Cl3N3/c1-24-19-12(10-23)8-16(15-7-6-14(21)9-17(15)22)18(25-19)11-2-4-13(20)5-3-11/h2-9H,1H3,(H,24,25)
InChIKeyILQITHRNHHRPFG-UHFFFAOYSA-N
XLogP6.29
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.69
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile (CID 68718291) is 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile is CNc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1C#N.
What is the InChIKey of 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The InChIKey is ILQITHRNHHRPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3/c1-24-19-12(10-23)8-16(15-7-6-14(21)9-17(15)22)18(25-19)11-2-4-13(20)5-3-11/h2-9H,1H3,(H,24,25).
What are the key properties of 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile has a molecular weight of 388.69 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 68718291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).