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

C91H112BrF17N8O5Sn — CID 158242129

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

5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-(cyclopropylmethyl)-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-(cyclopropylmethyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-prop-2-enylpyridine;ethoxyethane;methane;tributyl(prop-2-enyl)stannane;hydrofluoride (PubChem CID 158242129) has the molecular formula C91H112BrF17N8O5Sn and a molecular weight of 1919.53 g/mol. Its IUPAC name is 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-(cyclopropylmethyl)-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-(cyclopropylmethyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-prop-2-enylpyridine;ethoxyethane;methane;tributyl(prop-2-enyl)stannane;hydrofluoride.

Molecular Properties

• Compound Name: 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-(cyclopropylmethyl)-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-(cyclopropylmethyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-prop-2-enylpyridine;ethoxyethane;methane;tributyl(prop-2-enyl)stannane;hydrofluoride
• PubChem CID: 158242129
• Molecular Formula: C91H112BrF17N8O5Sn
• Molecular Weight: 1919.53 g/mol
• Exact Mass: 1918.67
• IUPAC Name: 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-(cyclopropylmethyl)-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-(cyclopropylmethyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-prop-2-enylpyridine;ethoxyethane;methane;tributyl(prop-2-enyl)stannane;hydrofluoride
• SMILES: C.C.C.C.C=CC[Sn](CCCC)(CCCC)CCCC.C=CCc1ccc(C(F)(F)C2(c3ccc(F)cc3F)CO2)nc1.CCOCC.F.Fc1ccc(C2(C(F)(F)c3ccc(Br)cn3)CO2)c(F)c1.Fc1ccc(C2(C(F)(F)c3ccc(CC4CC4)cn3)CO2)c(F)c1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(CC2CC2)cn1
• InChI: InChI=1S/C19H17F4N5O.C18H15F4NO.C17H13F4NO.C14H8BrF4NO.C4H10O.3C4H9.C3H5.4CH4.FH.Sn/c20-14-4-5-15(16(21)8-14)18(29,10-28-11-25-26-27-28)19(22,23)17-6-3-13(9-24-17)7-12-1-2-12;19-13-4-5-14(15(20)8-13)17(10-24-17)18(21,22)16-6-3-12(9-23-16)7-11-1-2-11;1-2-3-11-4-7-15(22-9-11)17(20,21)16(10-23-16)13-6-5-12(18)8-14(13)19;15-8-1-4-12(20-6-8)14(18,19)13(7-21-13)10-3-2-9(16)5-11(10)17;1-3-5-4-2;3*1-3-4-2;1-3-2;;;;;;/h3-6,8-9,11-12,29H,1-2,7,10H2;3-6,8-9,11H,1-2,7,10H2;2,4-9H,1,3,10H2;1-6H,7H2;3-4H2,1-2H3;3*1,3-4H2,2H3;3H,1-2H2;4*1H4;1H
• InChIKey: GFRAKJLZZHTIPA-UHFFFAOYSA-N
• XLogP: 25.32
• TPSA: 162.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 33
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1919.53
LogP ≤ 5	25.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

The IUPAC name of 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-(cyclopropylmethyl)-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-(cyclopropylmethyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-prop-2-enylpyridine;ethoxyethane;methane;tributyl(prop-2-enyl)stannane;hydrofluoride (CID 158242129) is 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-(cyclopropylmethyl)-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-(cyclopropylmethyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-prop-2-enylpyridine;ethoxyethane;methane;tributyl(prop-2-enyl)stannane;hydrofluoride.

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

The canonical SMILES for 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-(cyclopropylmethyl)-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-(cyclopropylmethyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-prop-2-enylpyridine;ethoxyethane;methane;tributyl(prop-2-enyl)stannane;hydrofluoride is C.C.C.C.C=CC[Sn](CCCC)(CCCC)CCCC.C=CCc1ccc(C(F)(F)C2(c3ccc(F)cc3F)CO2)nc1.CCOCC.F.Fc1ccc(C2(C(F)(F)c3ccc(Br)cn3)CO2)c(F)c1.Fc1ccc(C2(C(F)(F)c3ccc(CC4CC4)cn3)CO2)c(F)c1.OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(CC2CC2)cn1.

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

The InChIKey is GFRAKJLZZHTIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O.C18H15F4NO.C17H13F4NO.C14H8BrF4NO.C4H10O.3C4H9.C3H5.4CH4.FH.Sn/c20-14-4-5-15(16(21)8-14)18(29,10-28-11-25-26-27-28)19(22,23)17-6-3-13(9-24-17)7-12-1-2-12;19-13-4-5-14(15(20)8-13)17(10-24-17)18(21,22)16-6-3-12(9-23-16)7-11-1-2-11;1-2-3-11-4-7-15(22-9-11)17(20,21)16(10-23-16)13-6-5-12(18)8-14(13)19;15-8-1-4-12(20-6-8)14(18,19)13(7-21-13)10-3-2-9(16)5-11(10)17;1-3-5-4-2;3*1-3-4-2;1-3-2;;;;;;/h3-6,8-9,11-12,29H,1-2,7,10H2;3-6,8-9,11H,1-2,7,10H2;2,4-9H,1,3,10H2;1-6H,7H2;3-4H2,1-2H3;3*1,3-4H2,2H3;3H,1-2H2;4*1H4;1H;.

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

5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;5-(cyclopropylmethyl)-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-(cyclopropylmethyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-prop-2-enylpyridine;ethoxyethane;methane;tributyl(prop-2-enyl)stannane;hydrofluoride has a molecular weight of 1919.53 g/mol, XLogP of 25.32, 33 rotatable bonds, 1 hydrogen bond donors, and 13 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-(cyclopropylmethyl)-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;1-[5-(cyclopropylmethyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-prop-2-enylpyridine;ethoxyethane;methane;tributyl(prop-2-enyl)stannane;hydrofluoride is sourced from PubChem (CID 158242129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).