(3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride

C99H64Br6Cl6F6N14O18S2 — CID 167650475

About (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride

(3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride (PubChem CID 167650475) has the molecular formula C99H64Br6Cl6F6N14O18S2 and a molecular weight of 2607.94 g/mol. Its IUPAC name is (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride.

Molecular Properties

• Compound Name: (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride
• PubChem CID: 167650475
• Molecular Formula: C99H64Br6Cl6F6N14O18S2
• Molecular Weight: 2607.94 g/mol
• Exact Mass: 2597.71
• IUPAC Name: (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride
• SMILES: CCCS(=O)(=O)Cl.CCCS(=O)(=O)Nc1ccc(Br)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.Nc1ccc(Br)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.O=C(Cl)c1c(Br)ccc([N+](=O)[O-])c1F.O=C(O)c1c(Br)ccc([N+](=O)[O-])c1F.O=C(c1c(Br)ccc([N+](=O)[O-])c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12.O=[N+]([O-])c1ccc(Br)cc1F
• InChI: InChI=1S/C23H18BrClFN3O3S.C20H10BrClFN3O3.C20H12BrClFN3O.C13H9ClN2.C7H2BrClFNO3.C7H3BrFNO4.C6H3BrFNO2.C3H7ClO2S/c1-2-9-33(31,32)29-19-8-7-18(24)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(25)6-4-13;21-15-5-6-16(26(28)29)18(23)17(15)19(27)14-9-25-20-13(14)7-11(8-24-20)10-1-3-12(22)4-2-10;21-15-5-6-16(24)18(23)17(15)19(27)14-9-26-20-13(14)7-11(8-25-20)10-1-3-12(22)4-2-10;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;8-3-1-2-4(11(13)14)6(10)5(3)7(9)12;8-3-1-2-4(10(13)14)6(9)5(3)7(11)12;7-4-1-2-6(9(10)11)5(8)3-4;1-2-3-7(4,5)6/h3-8,10-12,29H,2,9H2,1H3,(H,27,28);1-9H,(H,24,25);1-9H,24H2,(H,25,26);1-8H,(H,15,16);1-2H;1-2H,(H,11,12);1-3H;2-3H2,1H3
• InChIKey: QMSTVGGYNCWYCA-UHFFFAOYSA-N
• XLogP: 30.10
• TPSA: 499.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2607.94
LogP ≤ 5	30.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride?

The IUPAC name of (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride (CID 167650475) is (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride.

What is the SMILES notation for (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride?

The canonical SMILES for (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride is CCCS(=O)(=O)Cl.CCCS(=O)(=O)Nc1ccc(Br)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.Nc1ccc(Br)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.O=C(Cl)c1c(Br)ccc([N+](=O)[O-])c1F.O=C(O)c1c(Br)ccc([N+](=O)[O-])c1F.O=C(c1c(Br)ccc([N+](=O)[O-])c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12.O=[N+]([O-])c1ccc(Br)cc1F.

What is the InChIKey of (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride?

The InChIKey is QMSTVGGYNCWYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClFN3O3S.C20H10BrClFN3O3.C20H12BrClFN3O.C13H9ClN2.C7H2BrClFNO3.C7H3BrFNO4.C6H3BrFNO2.C3H7ClO2S/c1-2-9-33(31,32)29-19-8-7-18(24)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(25)6-4-13;21-15-5-6-16(26(28)29)18(23)17(15)19(27)14-9-25-20-13(14)7-11(8-24-20)10-1-3-12(22)4-2-10;21-15-5-6-16(24)18(23)17(15)19(27)14-9-26-20-13(14)7-11(8-25-20)10-1-3-12(22)4-2-10;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;8-3-1-2-4(11(13)14)6(10)5(3)7(9)12;8-3-1-2-4(10(13)14)6(9)5(3)7(11)12;7-4-1-2-6(9(10)11)5(8)3-4;1-2-3-7(4,5)6/h3-8,10-12,29H,2,9H2,1H3,(H,27,28);1-9H,(H,24,25);1-9H,24H2,(H,25,26);1-8H,(H,15,16);1-2H;1-2H,(H,11,12);1-3H;2-3H2,1H3.

What are the key properties of (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride?

(3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride has a molecular weight of 2607.94 g/mol, XLogP of 30.10, 22 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-6-bromo-2-fluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[4-bromo-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]propane-1-sulfonamide;4-bromo-2-fluoro-1-nitrobenzene;6-bromo-2-fluoro-3-nitrobenzoic acid;6-bromo-2-fluoro-3-nitrobenzoyl chloride;(6-bromo-2-fluoro-3-nitrophenyl)-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;propane-1-sulfonyl chloride is sourced from PubChem (CID 167650475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).