5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride

C53H46Br5F13N8O4 — CID 157349598

About 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride

5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride (PubChem CID 157349598) has the molecular formula C53H46Br5F13N8O4 and a molecular weight of 1505.50 g/mol. Its IUPAC name is 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride.

Molecular Properties

• Compound Name: 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride
• PubChem CID: 157349598
• Molecular Formula: C53H46Br5F13N8O4
• Molecular Weight: 1505.50 g/mol
• Exact Mass: 1499.94
• IUPAC Name: 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride
• SMILES: Brc1ccc(Br)nc1.C.C.CCOCC.F.Fc1ccc(C2(C(F)(F)c3ccc(Br)cn3)CO2)c(F)c1.O=C(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
• InChI: InChI=1S/C15H10BrF4N5O.C14H8BrF4NO.C13H6BrF4NO.C5H3Br2N.C4H10O.2CH4.FH/c16-9-1-4-13(21-6-9)15(19,20)14(26,7-25-8-22-23-24-25)11-3-2-10(17)5-12(11)18;15-8-1-4-12(20-6-8)14(18,19)13(7-21-13)10-3-2-9(16)5-11(10)17;14-7-1-4-11(19-6-7)13(17,18)12(20)9-3-2-8(15)5-10(9)16;6-4-1-2-5(7)8-3-4;1-3-5-4-2;;;/h1-6,8,26H,7H2;1-6H,7H2;1-6H;1-3H;3-4H2,1-2H3;2*1H4;1H
• InChIKey: BHJJFPFUCVSRGC-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 154.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1505.50
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride?

The IUPAC name of 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride (CID 157349598) is 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride.

What is the SMILES notation for 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride?

The canonical SMILES for 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride is Brc1ccc(Br)nc1.C.C.CCOCC.F.Fc1ccc(C2(C(F)(F)c3ccc(Br)cn3)CO2)c(F)c1.O=C(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.

What is the InChIKey of 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride?

The InChIKey is BHJJFPFUCVSRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF4N5O.C14H8BrF4NO.C13H6BrF4NO.C5H3Br2N.C4H10O.2CH4.FH/c16-9-1-4-13(21-6-9)15(19,20)14(26,7-25-8-22-23-24-25)11-3-2-10(17)5-12(11)18;15-8-1-4-12(20-6-8)14(18,19)13(7-21-13)10-3-2-9(16)5-11(10)17;14-7-1-4-11(19-6-7)13(17,18)12(20)9-3-2-8(15)5-10(9)16;6-4-1-2-5(7)8-3-4;1-3-5-4-2;;;/h1-6,8,26H,7H2;1-6H,7H2;1-6H;1-3H;3-4H2,1-2H3;2*1H4;1H.

What are the key properties of 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride?

5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride has a molecular weight of 1505.50 g/mol, XLogP of 16.10, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride is sourced from PubChem (CID 157349598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).