3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate

C78H86B3Br4ClN10O15S4 — CID 159508538

About 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate

3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate (PubChem CID 159508538) has the molecular formula C78H86B3Br4ClN10O15S4 and a molecular weight of 1919.37 g/mol. Its IUPAC name is 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate.

Molecular Properties

• Compound Name: 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate
• PubChem CID: 159508538
• Molecular Formula: C78H86B3Br4ClN10O15S4
• Molecular Weight: 1919.37 g/mol
• Exact Mass: 1914.19
• IUPAC Name: 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate
• SMILES: BrBr.Brc1c[nH]c2ncccc12.CC(C)OB(OC(C)C)OC(C)C.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2cc(B(O)O)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C20H23BN2O4S.C14H13BN2O4S.C14H11BrN2O2S.C9H21BO3.C7H5BrN2.C7H7ClO2S.C7H6N2.Br2/c1-14-8-10-15(11-9-14)28(24,25)23-13-17(16-7-6-12-22-18(16)23)21-26-19(2,3)20(4,5)27-21;1-10-4-6-11(7-5-10)22(20,21)17-9-13(15(18)19)12-3-2-8-16-14(12)17;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;1-7(2)11-10(12-8(3)4)13-9(5)6;8-6-4-10-7-5(6)2-1-3-9-7;1-6-2-4-7(5-3-6)11(8,9)10;1-2-6-3-5-9-7(6)8-4-1;1-2/h6-13H,1-5H3;2-9,18-19H,1H3;2-9H,1H3;7-9H,1-6H3;1-4H,(H,9,10);2-5H,1H3;1-5H,(H,8,9)
• InChIKey: MAHPHGDXQDXCGP-UHFFFAOYSA-N
• XLogP: 16.23
• TPSA: 333.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1919.37
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate?

The IUPAC name of 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate (CID 159508538) is 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate.

What is the SMILES notation for 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate?

The canonical SMILES for 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate is BrBr.Brc1c[nH]c2ncccc12.CC(C)OB(OC(C)C)OC(C)C.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2cc(B(O)O)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.c1cnc2[nH]ccc2c1.

What is the InChIKey of 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate?

The InChIKey is MAHPHGDXQDXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BN2O4S.C14H13BN2O4S.C14H11BrN2O2S.C9H21BO3.C7H5BrN2.C7H7ClO2S.C7H6N2.Br2/c1-14-8-10-15(11-9-14)28(24,25)23-13-17(16-7-6-12-22-18(16)23)21-26-19(2,3)20(4,5)27-21;1-10-4-6-11(7-5-10)22(20,21)17-9-13(15(18)19)12-3-2-8-16-14(12)17;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;1-7(2)11-10(12-8(3)4)13-9(5)6;8-6-4-10-7-5(6)2-1-3-9-7;1-6-2-4-7(5-3-6)11(8,9)10;1-2-6-3-5-9-7(6)8-4-1;1-2/h6-13H,1-5H3;2-9,18-19H,1H3;2-9H,1H3;7-9H,1-6H3;1-4H,(H,9,10);2-5H,1H3;1-5H,(H,8,9);.

What are the key properties of 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate?

3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate has a molecular weight of 1919.37 g/mol, XLogP of 16.23, 15 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;4-methylbenzenesulfonyl chloride;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid;1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;molecular bromine;1H-pyrrolo[2,3-b]pyridine;tripropan-2-yl borate is sourced from PubChem (CID 159508538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).