3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne

C71H67BBr2Cl7IN14O6S2Si — CID 159333579

About 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne

3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne (PubChem CID 159333579) has the molecular formula C71H67BBr2Cl7IN14O6S2Si and a molecular weight of 1850.32 g/mol. Its IUPAC name is 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne.

Molecular Properties

• Compound Name: 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne
• PubChem CID: 159333579
• Molecular Formula: C71H67BBr2Cl7IN14O6S2Si
• Molecular Weight: 1850.32 g/mol
• Exact Mass: 1843.99
• IUPAC Name: 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne
• SMILES: C#CC.C[Si](C)(C)C#Cc1cc(Cl)cnc1N.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.Nc1ccc(Cl)cn1.Nc1ncc(Cl)cc1I
• InChI: InChI=1S/C20H22BClN2O4S.C14H10BrClN2O2S.C10H13ClN2Si.C7H4BrClN2.C7H5ClN2.C5H4ClIN2.C5H5ClN2.C3H4/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)21(19,20)18-8-13(15)12-6-10(16)7-17-14(12)18;1-14(2,3)5-4-8-6-9(11)7-13-10(8)12;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;6-3-1-4(7)5(8)9-2-3;6-4-1-2-5(7)8-3-4;1-3-2/h6-12H,1-5H3;2-8H,1H3;6-7H,1-3H3,(H2,12,13);1-3H,(H,10,11);1-4H,(H,9,10);1-2H,(H2,8,9);1-3H,(H2,7,8);1H,2H3
• InChIKey: LFGBWZCERBQPTJ-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 296.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 5
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1850.32
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne?

The IUPAC name of 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne (CID 159333579) is 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne.

What is the SMILES notation for 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne?

The canonical SMILES for 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne is C#CC.C[Si](C)(C)C#Cc1cc(Cl)cnc1N.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.Nc1ccc(Cl)cn1.Nc1ncc(Cl)cc1I.

What is the InChIKey of 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne?

The InChIKey is LFGBWZCERBQPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BClN2O4S.C14H10BrClN2O2S.C10H13ClN2Si.C7H4BrClN2.C7H5ClN2.C5H4ClIN2.C5H5ClN2.C3H4/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)21(19,20)18-8-13(15)12-6-10(16)7-17-14(12)18;1-14(2,3)5-4-8-6-9(11)7-13-10(8)12;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;6-3-1-4(7)5(8)9-2-3;6-4-1-2-5(7)8-3-4;1-3-2/h6-12H,1-5H3;2-8H,1H3;6-7H,1-3H3,(H2,12,13);1-3H,(H,10,11);1-4H,(H,9,10);1-2H,(H2,8,9);1-3H,(H2,7,8);1H,2H3.

What are the key properties of 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne?

3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne has a molecular weight of 1850.32 g/mol, XLogP of 19.15, 5 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-iodopyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-chloropyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine;prop-1-yne is sourced from PubChem (CID 159333579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).