5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine

C49H39BrCl8N8O2 — CID 159944810

About 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine

5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine (PubChem CID 159944810) has the molecular formula C49H39BrCl8N8O2 and a molecular weight of 1135.43 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine.

Molecular Properties

• Compound Name: 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine
• PubChem CID: 159944810
• Molecular Formula: C49H39BrCl8N8O2
• Molecular Weight: 1135.43 g/mol
• Exact Mass: 1129.99
• IUPAC Name: 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine
• SMILES: Clc1ccc(CNc2ccc(Br)c(Cl)n2)cc1.Clc1ccc(CNc2cccc(Cl)n2)cc1.Nc1cccc(Cl)n1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(NCc2ccc(Cl)cc2)nc1Cl
• InChI: InChI=1S/C13H10Cl2N2O.C12H9BrCl2N2.C12H10Cl2N2.C7H5ClO.C5H5ClN2/c14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12;13-10-5-6-11(17-12(10)15)16-7-8-1-3-9(14)4-2-8;13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(14)16-12;8-7-3-1-6(5-9)2-4-7;6-4-2-1-3-5(7)8-4/h1-6,8H,7H2,(H,16,17);1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-5H;1-3H,(H2,7,8)
• InChIKey: OBITVFKHRAPRRC-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 147.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1135.43
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine?

The IUPAC name of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine (CID 159944810) is 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine.

What is the SMILES notation for 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine?

The canonical SMILES for 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine is Clc1ccc(CNc2ccc(Br)c(Cl)n2)cc1.Clc1ccc(CNc2cccc(Cl)n2)cc1.Nc1cccc(Cl)n1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(NCc2ccc(Cl)cc2)nc1Cl.

What is the InChIKey of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine?

The InChIKey is OBITVFKHRAPRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O.C12H9BrCl2N2.C12H10Cl2N2.C7H5ClO.C5H5ClN2/c14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12;13-10-5-6-11(17-12(10)15)16-7-8-1-3-9(14)4-2-8;13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(14)16-12;8-7-3-1-6(5-9)2-4-7;6-4-2-1-3-5(7)8-4/h1-6,8H,7H2,(H,16,17);1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-5H;1-3H,(H2,7,8).

What are the key properties of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine?

5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine has a molecular weight of 1135.43 g/mol, XLogP of 16.05, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine is sourced from PubChem (CID 159944810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).