2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile

C16H15Cl2N3 — CID 3418568

IUPAC2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCC(C)Cc1cc(-c2cccc(Cl)c2Cl)c(C#N)c(N)n1
InChIInChI=1S/C16H15Cl2N3/c1-9(2)6-10-7-12(13(8-19)16(20)21-10)11-4-3-5-14(17)15(11)18/h3-5,7,9H,6H2,1-2H3,(H2,20,21)
InChIKeyRMEVGEIGPCVZRR-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.71
Rot. Bonds3

About 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile

2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile (PubChem CID 3418568) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
PubChem CID3418568
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCC(C)Cc1cc(-c2cccc(Cl)c2Cl)c(C#N)c(N)n1
InChIInChI=1S/C16H15Cl2N3/c1-9(2)6-10-7-12(13(8-19)16(20)21-10)11-4-3-5-14(17)15(11)18/h3-5,7,9H,6H2,1-2H3,(H2,20,21)
InChIKeyRMEVGEIGPCVZRR-UHFFFAOYSA-N
XLogP4.71
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile (CID 3418568) is 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile is CC(C)Cc1cc(-c2cccc(Cl)c2Cl)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile?
The InChIKey is RMEVGEIGPCVZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-9(2)6-10-7-12(13(8-19)16(20)21-10)11-4-3-5-14(17)15(11)18/h3-5,7,9H,6H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile?
2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile has a molecular weight of 320.22 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3418568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).