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

C65H73BrF13N7O3Sn — CID 158287400

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

5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-cyclopropyl-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-(5-cyclopropyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;methane;tributyl(cyclopropyl)stannane;hydrofluoride (PubChem CID 158287400) has the molecular formula C65H73BrF13N7O3Sn and a molecular weight of 1445.93 g/mol. Its IUPAC name is 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-cyclopropyl-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-(5-cyclopropyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;methane;tributyl(cyclopropyl)stannane;hydrofluoride.

Molecular Properties

• Compound Name: 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-cyclopropyl-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-(5-cyclopropyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;methane;tributyl(cyclopropyl)stannane;hydrofluoride
• PubChem CID: 158287400
• Molecular Formula: C65H73BrF13N7O3Sn
• Molecular Weight: 1445.93 g/mol
• Exact Mass: 1445.38
• IUPAC Name: 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-cyclopropyl-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-(5-cyclopropyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;methane;tributyl(cyclopropyl)stannane;hydrofluoride
• SMILES: C.CCCC[Sn](CCCC)(CCCC)C1CC1.F.Fc1ccc(C2(C(F)(F)c3ccc(Br)cn3)CO2)c(F)c1.Fc1ccc(C2(C(F)(F)c3ccc(C4CC4)cn3)CO2)c(F)c1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(C2CC2)cn1
• InChI: InChI=1S/C18H15F4N5O.C17H13F4NO.C14H8BrF4NO.3C4H9.C3H5.CH4.FH.Sn/c19-13-4-5-14(15(20)7-13)17(28,9-27-10-24-25-26-27)18(21,22)16-6-3-12(8-23-16)11-1-2-11;18-12-4-5-13(14(19)7-12)16(9-23-16)17(20,21)15-6-3-11(8-22-15)10-1-2-10;15-8-1-4-12(20-6-8)14(18,19)13(7-21-13)10-3-2-9(16)5-11(10)17;3*1-3-4-2;1-2-3-1;;;/h3-8,10-11,28H,1-2,9H2;3-8,10H,1-2,9H2;1-6H,7H2;3*1,3-4H2,2H3;1H,2-3H2;1H4;1H
• InChIKey: GKYDIOXCEBVGLK-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 127.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1445.93
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'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;5-cyclopropyl-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-(5-cyclopropyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;methane;tributyl(cyclopropyl)stannane;hydrofluoride?

The IUPAC name of 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-cyclopropyl-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-(5-cyclopropyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;methane;tributyl(cyclopropyl)stannane;hydrofluoride (CID 158287400) is 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-cyclopropyl-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-(5-cyclopropyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;methane;tributyl(cyclopropyl)stannane;hydrofluoride.

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

The canonical SMILES for 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-cyclopropyl-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-(5-cyclopropyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;methane;tributyl(cyclopropyl)stannane;hydrofluoride is C.CCCC[Sn](CCCC)(CCCC)C1CC1.F.Fc1ccc(C2(C(F)(F)c3ccc(Br)cn3)CO2)c(F)c1.Fc1ccc(C2(C(F)(F)c3ccc(C4CC4)cn3)CO2)c(F)c1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(C2CC2)cn1.

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

The InChIKey is GKYDIOXCEBVGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N5O.C17H13F4NO.C14H8BrF4NO.3C4H9.C3H5.CH4.FH.Sn/c19-13-4-5-14(15(20)7-13)17(28,9-27-10-24-25-26-27)18(21,22)16-6-3-12(8-23-16)11-1-2-11;18-12-4-5-13(14(19)7-12)16(9-23-16)17(20,21)15-6-3-11(8-22-15)10-1-2-10;15-8-1-4-12(20-6-8)14(18,19)13(7-21-13)10-3-2-9(16)5-11(10)17;3*1-3-4-2;1-2-3-1;;;/h3-8,10-11,28H,1-2,9H2;3-8,10H,1-2,9H2;1-6H,7H2;3*1,3-4H2,2H3;1H,2-3H2;1H4;1H;.

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

5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-cyclopropyl-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-(5-cyclopropyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;methane;tributyl(cyclopropyl)stannane;hydrofluoride has a molecular weight of 1445.93 g/mol, XLogP of 18.09, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-cyclopropyl-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-(5-cyclopropyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;methane;tributyl(cyclopropyl)stannane;hydrofluoride is sourced from PubChem (CID 158287400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).