bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C86H64B2Br3F10IN10O6 — CID 157402621

About bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 157402621) has the molecular formula C86H64B2Br3F10IN10O6 and a molecular weight of 1911.74 g/mol. Its IUPAC name is bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

• Compound Name: bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• PubChem CID: 157402621
• Molecular Formula: C86H64B2Br3F10IN10O6
• Molecular Weight: 1911.74 g/mol
• Exact Mass: 1908.16
• IUPAC Name: bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• SMILES: Brc1cccn2c(I)cnc12.Cc1ccc(-c2cccn3c(-c4cccc(F)c4F)cnc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccc(F)cc1.Fc1cccc(-c2cnc3c(Br)cccn23)c1F.Fc1cccc(-c2cnc3c(Br)cccn23)c1F.OB(O)c1cccc(F)c1F
• InChI: InChI=1S/C27H18F3N3O.C20H23BFNO3.2C13H7BrF2N2.C7H4BrIN2.C6H5BF2O2/c1-16-7-8-17(14-22(16)27(34)32-19-11-9-18(28)10-12-19)20-5-3-13-33-24(15-31-26(20)33)21-4-2-6-23(29)25(21)30;1-13-6-7-14(21-25-19(2,3)20(4,5)26-21)12-17(13)18(24)23-16-10-8-15(22)9-11-16;2*14-9-4-2-6-18-11(7-17-13(9)18)8-3-1-5-10(15)12(8)16;8-5-2-1-3-11-6(9)4-10-7(5)11;8-5-3-1-2-4(6(5)9)7(10)11/h2-15H,1H3,(H,32,34);6-12H,1-5H3,(H,23,24);2*1-7H;1-4H;1-3,10-11H
• InChIKey: BNIQSKUYNXUQLD-UHFFFAOYSA-N
• XLogP: 20.76
• TPSA: 186.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1911.74
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The IUPAC name of bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 157402621) is bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

What is the SMILES notation for bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The canonical SMILES for bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is Brc1cccn2c(I)cnc12.Cc1ccc(-c2cccn3c(-c4cccc(F)c4F)cnc23)cc1C(=O)Nc1ccc(F)cc1.Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1ccc(F)cc1.Fc1cccc(-c2cnc3c(Br)cccn23)c1F.Fc1cccc(-c2cnc3c(Br)cccn23)c1F.OB(O)c1cccc(F)c1F.

What is the InChIKey of bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The InChIKey is BNIQSKUYNXUQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3O.C20H23BFNO3.2C13H7BrF2N2.C7H4BrIN2.C6H5BF2O2/c1-16-7-8-17(14-22(16)27(34)32-19-11-9-18(28)10-12-19)20-5-3-13-33-24(15-31-26(20)33)21-4-2-6-23(29)25(21)30;1-13-6-7-14(21-25-19(2,3)20(4,5)26-21)12-17(13)18(24)23-16-10-8-15(22)9-11-16;2*14-9-4-2-6-18-11(7-17-13(9)18)8-3-1-5-10(15)12(8)16;8-5-2-1-3-11-6(9)4-10-7(5)11;8-5-3-1-2-4(6(5)9)7(10)11/h2-15H,1H3,(H,32,34);6-12H,1-5H3,(H,23,24);2*1-7H;1-4H;1-3,10-11H.

What are the key properties of bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 1911.74 g/mol, XLogP of 20.76, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 157402621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).