6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine

C56H51BBr3Cl4N9O4S — CID 160691108

About 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine

6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine (PubChem CID 160691108) has the molecular formula C56H51BBr3Cl4N9O4S and a molecular weight of 1338.49 g/mol. Its IUPAC name is 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine.

Molecular Properties

• Compound Name: 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine
• PubChem CID: 160691108
• Molecular Formula: C56H51BBr3Cl4N9O4S
• Molecular Weight: 1338.49 g/mol
• Exact Mass: 1333.02
• IUPAC Name: 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine
• SMILES: Brc1cccc(Br)n1.Cc1ccc(S(=O)(=O)N2CC(B3OC(C)(C)C(C)(C)O3)c3cc(Cl)cnc32)cc1.Clc1ccc(CNc2cccc(-c3c[nH]c4ncc(Cl)cc34)n2)cc1.Clc1ccc(CNc2cccc(Br)n2)cc1
• InChI: InChI=1S/C20H24BClN2O4S.C19H14Cl2N4.C12H10BrClN2.C5H3Br2N/c1-13-6-8-15(9-7-13)29(25,26)24-12-17(16-10-14(22)11-23-18(16)24)21-27-19(2,3)20(4,5)28-21;20-13-6-4-12(5-7-13)9-22-18-3-1-2-17(25-18)16-11-24-19-15(16)8-14(21)10-23-19;13-11-2-1-3-12(16-11)15-8-9-4-6-10(14)7-5-9;6-4-2-1-3-5(7)8-4/h6-11,17H,12H2,1-5H3;1-8,10-11H,9H2,(H,22,25)(H,23,24);1-7H,8H2,(H,15,16);1-3H
• InChIKey: RPKKHXGDVIRBAU-UHFFFAOYSA-N
• XLogP: 16.23
• TPSA: 160.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1338.49
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine?

The IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine (CID 160691108) is 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine.

What is the SMILES notation for 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine?

The canonical SMILES for 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine is Brc1cccc(Br)n1.Cc1ccc(S(=O)(=O)N2CC(B3OC(C)(C)C(C)(C)O3)c3cc(Cl)cnc32)cc1.Clc1ccc(CNc2cccc(-c3c[nH]c4ncc(Cl)cc34)n2)cc1.Clc1ccc(CNc2cccc(Br)n2)cc1.

What is the InChIKey of 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine?

The InChIKey is RPKKHXGDVIRBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BClN2O4S.C19H14Cl2N4.C12H10BrClN2.C5H3Br2N/c1-13-6-8-15(9-7-13)29(25,26)24-12-17(16-10-14(22)11-23-18(16)24)21-27-19(2,3)20(4,5)28-21;20-13-6-4-12(5-7-13)9-22-18-3-1-2-17(25-18)16-11-24-19-15(16)8-14(21)10-23-19;13-11-2-1-3-12(16-11)15-8-9-4-6-10(14)7-5-9;6-4-2-1-3-5(7)8-4/h6-11,17H,12H2,1-5H3;1-8,10-11H,9H2,(H,22,25)(H,23,24);1-7H,8H2,(H,15,16);1-3H.

What are the key properties of 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine?

6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine has a molecular weight of 1338.49 g/mol, XLogP of 16.23, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine is sourced from PubChem (CID 160691108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).