2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile

C19H9ClF5N3 — CID 3324150

About 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile

2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile (PubChem CID 3324150) has the molecular formula C19H9ClF5N3 and a molecular weight of 409.75 g/mol. Its IUPAC name is 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
• PubChem CID: 3324150
• Molecular Formula: C19H9ClF5N3
• Molecular Weight: 409.75 g/mol
• Exact Mass: 409.04
• IUPAC Name: 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
• SMILES: Cc1c(-c2cccc(Cl)c2)nc(N)c(C#N)c1-c1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C19H9ClF5N3/c1-7-11(12-13(21)15(23)17(25)16(24)14(12)22)10(6-26)19(27)28-18(7)8-3-2-4-9(20)5-8/h2-5H,1H3,(H2,27,28)
• InChIKey: POEGSYGESSGXPM-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 62.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.75
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile?

The IUPAC name of 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile (CID 3324150) is 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile.

What is the SMILES notation for 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile?

The canonical SMILES for 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile is Cc1c(-c2cccc(Cl)c2)nc(N)c(C#N)c1-c1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile?

The InChIKey is POEGSYGESSGXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9ClF5N3/c1-7-11(12-13(21)15(23)17(25)16(24)14(12)22)10(6-26)19(27)28-18(7)8-3-2-4-9(20)5-8/h2-5H,1H3,(H2,27,28).

What are the key properties of 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile?

2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile has a molecular weight of 409.75 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-(3-chlorophenyl)-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3324150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).