(3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride

C83H43BBr4Cl7F10N13O16 — CID 157154601

About (3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride

(3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride (PubChem CID 157154601) has the molecular formula C83H43BBr4Cl7F10N13O16 and a molecular weight of 2246.91 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride.

Molecular Properties

• Compound Name: (3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride
• PubChem CID: 157154601
• Molecular Formula: C83H43BBr4Cl7F10N13O16
• Molecular Weight: 2246.91 g/mol
• Exact Mass: 2238.74
• IUPAC Name: (3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride
• SMILES: Brc1cnc2[nH]ccc2c1.Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(Br)cc23)c1F.O=C(Cl)c1c(Cl)cccc1Cl.O=C(Cl)c1c(F)ccc([N+](=O)[O-])c1F.O=C(O)c1c(F)ccc([N+](=O)[O-])c1F.O=C(c1c(F)ccc([N+](=O)[O-])c1F)c1c[nH]c2ncc(Br)cc12.OB(O)c1ccc(Cl)cc1
• InChI: InChI=1S/C21H10BrCl2F2N3O2.C14H6BrF2N3O3.C14H8BrF2N3O.C7H5BrN2.C7H3Cl3O.C7H2ClF2NO3.C7H3F2NO4.C6H6BClO2/c22-9-6-10-11(19(30)17-14(25)4-5-15(27)18(17)26)8-29(20(10)28-7-9)21(31)16-12(23)2-1-3-13(16)24;15-6-3-7-8(5-19-14(7)18-4-6)13(21)11-9(16)1-2-10(12(11)17)20(22)23;15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17;8-6-3-5-1-2-9-7(5)10-4-6;8-4-2-1-3-5(9)6(4)7(10)11;8-7(12)5-3(9)1-2-4(6(5)10)11(13)14;8-3-1-2-4(10(13)14)6(9)5(3)7(11)12;8-6-3-1-5(2-4-6)7(9)10/h1-8H,27H2;1-5H,(H,18,19);1-5H,18H2,(H,19,20);1-4H,(H,9,10);1-3H;1-2H;1-2H,(H,11,12);1-4,9-10H
• InChIKey: ALQWAMQZESCYHQ-UHFFFAOYSA-N
• XLogP: 22.59
• TPSA: 465.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.91
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	8
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': 'heavy_metal', '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-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride?

The IUPAC name of (3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride (CID 157154601) is (3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride.

What is the SMILES notation for (3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride?

The canonical SMILES for (3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride is Brc1cnc2[nH]ccc2c1.Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(Br)cc23)c1F.O=C(Cl)c1c(Cl)cccc1Cl.O=C(Cl)c1c(F)ccc([N+](=O)[O-])c1F.O=C(O)c1c(F)ccc([N+](=O)[O-])c1F.O=C(c1c(F)ccc([N+](=O)[O-])c1F)c1c[nH]c2ncc(Br)cc12.OB(O)c1ccc(Cl)cc1.

What is the InChIKey of (3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride?

The InChIKey is ALQWAMQZESCYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10BrCl2F2N3O2.C14H6BrF2N3O3.C14H8BrF2N3O.C7H5BrN2.C7H3Cl3O.C7H2ClF2NO3.C7H3F2NO4.C6H6BClO2/c22-9-6-10-11(19(30)17-14(25)4-5-15(27)18(17)26)8-29(20(10)28-7-9)21(31)16-12(23)2-1-3-13(16)24;15-6-3-7-8(5-19-14(7)18-4-6)13(21)11-9(16)1-2-10(12(11)17)20(22)23;15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17;8-6-3-5-1-2-9-7(5)10-4-6;8-4-2-1-3-5(9)6(4)7(10)11;8-7(12)5-3(9)1-2-4(6(5)10)11(13)14;8-3-1-2-4(10(13)14)6(9)5(3)7(11)12;8-6-3-1-5(2-4-6)7(9)10/h1-8H,27H2;1-5H,(H,18,19);1-5H,18H2,(H,19,20);1-4H,(H,9,10);1-3H;1-2H;1-2H,(H,11,12);1-4,9-10H.

What are the key properties of (3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride?

(3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride has a molecular weight of 2246.91 g/mol, XLogP of 22.59, 14 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;(4-chlorophenyl)boronic acid;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride is sourced from PubChem (CID 157154601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).