potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride

C62H51B2Br2Cl5F3KN10O8S3 — CID 161008246

About potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride

potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride (PubChem CID 161008246) has the molecular formula C62H51B2Br2Cl5F3KN10O8S3 and a molecular weight of 1615.14 g/mol. Its IUPAC name is potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride.

Molecular Properties

• Compound Name: potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride
• PubChem CID: 161008246
• Molecular Formula: C62H51B2Br2Cl5F3KN10O8S3
• Molecular Weight: 1615.14 g/mol
• Exact Mass: 1609.96
• IUPAC Name: potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride
• SMILES: Cc1ccc(S(=O)(=O)n2cc(B(F)F)c3cc(Cl)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(Cl)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cc(Cl)cnc32)cc1.Clc1cnc2[nH]cc(Br)c2c1.Clc1cnc2[nH]ccc2c1.[F-].[K+]
• InChI: InChI=1S/C20H22BClN2O4S.C14H10BClF2N2O2S.C14H10BrClN2O2S.C7H4BrClN2.C7H5ClN2.FH.K/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;1-9-2-4-11(5-3-9)23(21,22)20-8-13(15(17)18)12-6-10(16)7-19-14(12)20;1-9-2-4-11(5-3-9)21(19,20)18-8-13(15)12-6-10(16)7-17-14(12)18;8-6-3-11-7-5(6)1-4(9)2-10-7;8-6-3-5-1-2-9-7(5)10-4-6;;/h6-12H,1-5H3;2-8H,1H3;2-8H,1H3;1-3H,(H,10,11);1-4H,(H,9,10);1H;/q;;;;;;+1/p-1
• InChIKey: LWGXQCKISNLVCN-UHFFFAOYSA-M
• XLogP: 9.60
• TPSA: 231.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1615.14
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride?

The IUPAC name of potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride (CID 161008246) is potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride.

What is the SMILES notation for potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride?

The canonical SMILES for potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride is Cc1ccc(S(=O)(=O)n2cc(B(F)F)c3cc(Cl)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(Cl)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cc(Cl)cnc32)cc1.Clc1cnc2[nH]cc(Br)c2c1.Clc1cnc2[nH]ccc2c1.[F-].[K+].

What is the InChIKey of potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride?

The InChIKey is LWGXQCKISNLVCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22BClN2O4S.C14H10BClF2N2O2S.C14H10BrClN2O2S.C7H4BrClN2.C7H5ClN2.FH.K/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;1-9-2-4-11(5-3-9)23(21,22)20-8-13(15(17)18)12-6-10(16)7-19-14(12)20;1-9-2-4-11(5-3-9)21(19,20)18-8-13(15)12-6-10(16)7-17-14(12)18;8-6-3-11-7-5(6)1-4(9)2-10-7;8-6-3-5-1-2-9-7(5)10-4-6;;/h6-12H,1-5H3;2-8H,1H3;2-8H,1H3;1-3H,(H,10,11);1-4H,(H,9,10);1H;/q;;;;;;+1/p-1.

What are the key properties of potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride?

potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride has a molecular weight of 1615.14 g/mol, XLogP of 9.60, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-difluoroborane;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine;fluoride is sourced from PubChem (CID 161008246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).