magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide

C136H81BBr5Cl13F12MgN18O17S — CID 158103447

About magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide

magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide (PubChem CID 158103447) has the molecular formula C136H81BBr5Cl13F12MgN18O17S and a molecular weight of 3394.82 g/mol. Its IUPAC name is magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide.

Molecular Properties

• Compound Name: magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide
• PubChem CID: 158103447
• Molecular Formula: C136H81BBr5Cl13F12MgN18O17S
• Molecular Weight: 3394.82 g/mol
• Exact Mass: 3381.74
• IUPAC Name: magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide
• SMILES: Brc1cnc2[nH]ccc2c1.CCCS(=O)Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)cc23)c1F.Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)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(c1c(F)ccc([N+](=O)[O-])c1F)c1c[nH]c2ncc(Br)cc12.OB(O)c1ccc(Cl)cc1.[Br-].[CH2-]CC.[Mg+2]
• InChI: InChI=1S/C30H20Cl3F2N3O3S.C27H14Cl3F2N3O2.C21H10BrCl2F2N3O2.C14H6BrF2N3O3.C14H8BrF2N3O.C7H5BrN2.C7H3Cl3O.C7H2ClF2NO3.C6H6BClO2.C3H7.BrH.Mg/c1-2-12-42(41)37-24-11-10-23(34)26(27(24)35)28(39)20-15-38(30(40)25-21(32)4-3-5-22(25)33)29-19(20)13-17(14-36-29)16-6-8-18(31)9-7-16;28-15-6-4-13(5-7-15)14-10-16-17(25(36)23-20(31)8-9-21(33)24(23)32)12-35(26(16)34-11-14)27(37)22-18(29)2-1-3-19(22)30;22-9-6-10-11(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;8-6-3-1-5(2-4-6)7(9)10;1-3-2;;/h3-11,13-15,37H,2,12H2,1H3;1-12H,33H2;1-8H,27H2;1-5H,(H,18,19);1-5H,18H2,(H,19,20);1-4H,(H,9,10);1-3H;1-2H;1-4,9-10H;1,3H2,2H3;1H;/q;;;;;;;;;-1;;+2/p-1
• InChIKey: DKLKXZBSOFJBKH-UHFFFAOYSA-M
• XLogP: 34.66
• TPSA: 544.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3394.82
LogP ≤ 5	34.66
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide?

The IUPAC name of magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide (CID 158103447) is magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide.

What is the SMILES notation for magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide?

The canonical SMILES for magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide is Brc1cnc2[nH]ccc2c1.CCCS(=O)Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)cc23)c1F.Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)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(c1c(F)ccc([N+](=O)[O-])c1F)c1c[nH]c2ncc(Br)cc12.OB(O)c1ccc(Cl)cc1.[Br-].[CH2-]CC.[Mg+2].

What is the InChIKey of magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide?

The InChIKey is DKLKXZBSOFJBKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H20Cl3F2N3O3S.C27H14Cl3F2N3O2.C21H10BrCl2F2N3O2.C14H6BrF2N3O3.C14H8BrF2N3O.C7H5BrN2.C7H3Cl3O.C7H2ClF2NO3.C6H6BClO2.C3H7.BrH.Mg/c1-2-12-42(41)37-24-11-10-23(34)26(27(24)35)28(39)20-15-38(30(40)25-21(32)4-3-5-22(25)33)29-19(20)13-17(14-36-29)16-6-8-18(31)9-7-16;28-15-6-4-13(5-7-15)14-10-16-17(25(36)23-20(31)8-9-21(33)24(23)32)12-35(26(16)34-11-14)27(37)22-18(29)2-1-3-19(22)30;22-9-6-10-11(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;8-6-3-1-5(2-4-6)7(9)10;1-3-2;;/h3-11,13-15,37H,2,12H2,1H3;1-12H,33H2;1-8H,27H2;1-5H,(H,18,19);1-5H,18H2,(H,19,20);1-4H,(H,9,10);1-3H;1-2H;1-4,9-10H;1,3H2,2H3;1H;/q;;;;;;;;;-1;;+2/p-1.

What are the key properties of magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide?

magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide has a molecular weight of 3394.82 g/mol, XLogP of 34.66, 24 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;(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;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)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;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfinamide;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-nitrobenzoyl chloride;propane;bromide is sourced from PubChem (CID 158103447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).