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

C19H12Cl3N3 — CID 68719045

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#N
InChIInChI=1S/C19H12Cl3N3/c1-24-19-12(10-23)8-16(11-2-4-13(20)5-3-11)18(25-19)15-7-6-14(21)9-17(15)22/h2-9H,1H3,(H,24,25)
InChIKeyMOMXWVZGDHGETO-UHFFFAOYSA-N
MW388.69 g/mol
LogP6.29
Rot. Bonds3

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

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile (PubChem CID 68719045) has the molecular formula C19H12Cl3N3 and a molecular weight of 388.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
PubChem CID68719045
Molecular FormulaC19H12Cl3N3
Molecular Weight388.69 g/mol
Exact Mass387.01
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#N
InChIInChI=1S/C19H12Cl3N3/c1-24-19-12(10-23)8-16(11-2-4-13(20)5-3-11)18(25-19)15-7-6-14(21)9-17(15)22/h2-9H,1H3,(H,24,25)
InChIKeyMOMXWVZGDHGETO-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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Related Compounds

5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
CID 10126186
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 10172375
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenyl)pyrimidin-4-amine
CID 10286977
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine
CID 10172376
5-(Aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
CID 10172681
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine
CID 10172706
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidin-4-amine
CID 10215628
5-(Aminomethyl)-2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
CID 10309373
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-phenylpyrimidin-4-amine
CID 11688776
2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile
CID 711464
4-(4-Chlorophenyl)-6-(dimethylamino)-2-phenyl-5-pyrimidinecarbonitrile
CID 1480433
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(2-methylphenyl)pyrimidin-4-amine
CID 10215577

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile (CID 68719045) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile is CNc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C#N.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The InChIKey is MOMXWVZGDHGETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3/c1-24-19-12(10-23)8-16(11-2-4-13(20)5-3-11)18(25-19)15-7-6-14(21)9-17(15)22/h2-9H,1H3,(H,24,25).
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
5-(4-chlorophenyl)-6-(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 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 68719045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).