acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine

C111H108BBr5F14IN13O17 — CID 159042121

About acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine

acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine (PubChem CID 159042121) has the molecular formula C111H108BBr5F14IN13O17 and a molecular weight of 2699.37 g/mol. Its IUPAC name is acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine.

Molecular Properties

• Compound Name: acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine
• PubChem CID: 159042121
• Molecular Formula: C111H108BBr5F14IN13O17
• Molecular Weight: 2699.37 g/mol
• Exact Mass: 2693.28
• IUPAC Name: acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine
• SMILES: BrBr.CC(=O)O.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.COCCI.COCCOCc1cn2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)c2n1.COCCOCc1cn2cccc(Br)c2n1.COCCOCc1cn2cccc(Br)c2n1.COCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.OCc1cn2cccc(Br)c2n1
• InChI: InChI=1S/C31H23F6N3O3.C25H21F4N3O3.C20H20BF4NO3.2C11H13BrN2O2.C8H7BrN2O.C3H7IO.C2H4O2.Br2/c1-42-14-15-43-17-26-28(22-4-2-6-25(33)27(22)34)40-13-3-5-21(29(40)39-26)18-7-12-24(31(35,36)37)23(16-18)30(41)38-20-10-8-19(32)9-11-20;1-34-11-12-35-15-19-14-32-10-2-3-20(23(32)30-19)16-4-9-22(25(27,28)29)21(13-16)24(33)31-18-7-5-17(26)6-8-18;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;2*1-15-5-6-16-8-9-7-14-4-2-3-10(12)11(14)13-9;9-7-2-1-3-11-4-6(5-12)10-8(7)11;1-5-3-2-4;1-2(3)4;1-2/h2-13,16H,14-15,17H2,1H3,(H,38,41);2-10,13-14H,11-12,15H2,1H3,(H,31,33);5-11H,1-4H3,(H,26,27);2*2-4,7H,5-6,8H2,1H3;1-4,12H,5H2;2-3H2,1H3;1H3,(H,3,4)
• InChIKey: BTSJTJJEVQVYPR-UHFFFAOYSA-N
• XLogP: 26.45
• TPSA: 332.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 33
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2699.37
LogP ≤ 5	26.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine?

The IUPAC name of acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine (CID 159042121) is acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine.

What is the SMILES notation for acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine?

The canonical SMILES for acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine is BrBr.CC(=O)O.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.COCCI.COCCOCc1cn2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)c2n1.COCCOCc1cn2cccc(Br)c2n1.COCCOCc1cn2cccc(Br)c2n1.COCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.OCc1cn2cccc(Br)c2n1.

What is the InChIKey of acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine?

The InChIKey is BTSJTJJEVQVYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F6N3O3.C25H21F4N3O3.C20H20BF4NO3.2C11H13BrN2O2.C8H7BrN2O.C3H7IO.C2H4O2.Br2/c1-42-14-15-43-17-26-28(22-4-2-6-25(33)27(22)34)40-13-3-5-21(29(40)39-26)18-7-12-24(31(35,36)37)23(16-18)30(41)38-20-10-8-19(32)9-11-20;1-34-11-12-35-15-19-14-32-10-2-3-20(23(32)30-19)16-4-9-22(25(27,28)29)21(13-16)24(33)31-18-7-5-17(26)6-8-18;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;2*1-15-5-6-16-8-9-7-14-4-2-3-10(12)11(14)13-9;9-7-2-1-3-11-4-6(5-12)10-8(7)11;1-5-3-2-4;1-2(3)4;1-2/h2-13,16H,14-15,17H2,1H3,(H,38,41);2-10,13-14H,11-12,15H2,1H3,(H,31,33);5-11H,1-4H3,(H,26,27);2*2-4,7H,5-6,8H2,1H3;1-4,12H,5H2;2-3H2,1H3;1H3,(H,3,4);.

What are the key properties of acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine?

acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine has a molecular weight of 2699.37 g/mol, XLogP of 26.45, 33 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;(8-bromoimidazo[1,2-a]pyridin-2-yl)methanol;bis(8-bromo-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridine);5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;1-iodo-2-methoxyethane;molecular bromine is sourced from PubChem (CID 159042121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).