5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine

C33H24BBr2Cl2F6N7O2 — CID 160726542

About 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine

5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine (PubChem CID 160726542) has the molecular formula C33H24BBr2Cl2F6N7O2 and a molecular weight of 906.12 g/mol. Its IUPAC name is 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine
• PubChem CID: 160726542
• Molecular Formula: C33H24BBr2Cl2F6N7O2
• Molecular Weight: 906.12 g/mol
• Exact Mass: 902.97
• IUPAC Name: 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine
• SMILES: FC(F)(F)C1=Nc2ncc(-c3ccc(Cl)cc3)cc2C1.FC(F)(F)C1=Nc2ncc(Br)cc2C1.Nc1cc(Br)cnc1N.OB(O)c1ccc(Cl)cc1
• InChI: InChI=1S/C14H8ClF3N2.C8H4BrF3N2.C6H6BClO2.C5H6BrN3/c15-11-3-1-8(2-4-11)10-5-9-6-12(14(16,17)18)20-13(9)19-7-10;9-5-1-4-2-6(8(10,11)12)14-7(4)13-3-5;8-6-3-1-5(2-4-6)7(9)10;6-3-1-4(7)5(8)9-2-3/h1-5,7H,6H2;1,3H,2H2;1-4,9-10H;1-2H,7H2,(H2,8,9)
• InChIKey: RTUDKFWNJJHCAD-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 155.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.12
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine (CID 160726542) is 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine is FC(F)(F)C1=Nc2ncc(-c3ccc(Cl)cc3)cc2C1.FC(F)(F)C1=Nc2ncc(Br)cc2C1.Nc1cc(Br)cnc1N.OB(O)c1ccc(Cl)cc1.

What is the InChIKey of 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine?

The InChIKey is RTUDKFWNJJHCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2.C8H4BrF3N2.C6H6BClO2.C5H6BrN3/c15-11-3-1-8(2-4-11)10-5-9-6-12(14(16,17)18)20-13(9)19-7-10;9-5-1-4-2-6(8(10,11)12)14-7(4)13-3-5;8-6-3-1-5(2-4-6)7(9)10;6-3-1-4(7)5(8)9-2-3/h1-5,7H,6H2;1,3H,2H2;1-4,9-10H;1-2H,7H2,(H2,8,9).

What are the key properties of 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine?

5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine has a molecular weight of 906.12 g/mol, XLogP of 8.66, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromopyridine-2,3-diamine;5-bromo-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)boronic acid;5-(4-chlorophenyl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160726542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).