5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol

C74H89B3Br2ClF23N12O16 — CID 158843980

About 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol

5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol (PubChem CID 158843980) has the molecular formula C74H89B3Br2ClF23N12O16 and a molecular weight of 2067.24 g/mol. Its IUPAC name is 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol.

Molecular Properties

• Compound Name: 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol
• PubChem CID: 158843980
• Molecular Formula: C74H89B3Br2ClF23N12O16
• Molecular Weight: 2067.24 g/mol
• Exact Mass: 2064.45
• IUPAC Name: 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol
• SMILES: C.C.C.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(OC3(C(F)(F)F)COC3)c(F)c2)OC1(C)C.FC(F)(F)c1nnc2cnc(Cl)cn12.Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OC1(C(F)(F)F)COC1.Fc1cc(Br)cnc1F.Fc1cc(Br)cnc1OC1(C(F)(F)F)COC1.O=C1COC1.OC1(C(F)(F)F)COC1
• InChI: InChI=1S/C15H18BF4NO4.C15H8F7N5O2.C12H24B2O4.C9H6BrF4NO2.C6H2ClF3N4.C5H2BrF2N.C4H5F3O2.C3H4O2.5CH4/c1-12(2)13(3,4)25-16(24-12)9-5-10(17)11(21-6-9)23-14(7-22-8-14)15(18,19)20;16-8-1-7(2-24-11(8)29-13(5-28-6-13)15(20,21)22)9-4-27-10(3-23-9)25-26-12(27)14(17,18)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-5-1-6(11)7(15-2-5)17-8(3-16-4-8)9(12,13)14;7-3-2-14-4(1-11-3)12-13-5(14)6(8,9)10;6-3-1-4(7)5(8)9-2-3;5-4(6,7)3(8)1-9-2-3;4-3-1-5-2-3;;;;;/h5-6H,7-8H2,1-4H3;1-4H,5-6H2;1-8H3;1-2H,3-4H2;1-2H;1-2H;8H,1-2H2;1-2H2;5*1H4
• InChIKey: IYPBRELXRJYYAG-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 304.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 9
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2067.24
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol?

The IUPAC name of 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol (CID 158843980) is 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol.

What is the SMILES notation for 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol?

The canonical SMILES for 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol is C.C.C.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(OC3(C(F)(F)F)COC3)c(F)c2)OC1(C)C.FC(F)(F)c1nnc2cnc(Cl)cn12.Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OC1(C(F)(F)F)COC1.Fc1cc(Br)cnc1F.Fc1cc(Br)cnc1OC1(C(F)(F)F)COC1.O=C1COC1.OC1(C(F)(F)F)COC1.

What is the InChIKey of 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol?

The InChIKey is IYPBRELXRJYYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BF4NO4.C15H8F7N5O2.C12H24B2O4.C9H6BrF4NO2.C6H2ClF3N4.C5H2BrF2N.C4H5F3O2.C3H4O2.5CH4/c1-12(2)13(3,4)25-16(24-12)9-5-10(17)11(21-6-9)23-14(7-22-8-14)15(18,19)20;16-8-1-7(2-24-11(8)29-13(5-28-6-13)15(20,21)22)9-4-27-10(3-23-9)25-26-12(27)14(17,18)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-5-1-6(11)7(15-2-5)17-8(3-16-4-8)9(12,13)14;7-3-2-14-4(1-11-3)12-13-5(14)6(8,9)10;6-3-1-4(7)5(8)9-2-3;5-4(6,7)3(8)1-9-2-3;4-3-1-5-2-3;;;;;/h5-6H,7-8H2,1-4H3;1-4H,5-6H2;1-8H3;1-2H,3-4H2;1-2H;1-2H;8H,1-2H2;1-2H2;5*1H4.

What are the key properties of 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol?

5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol has a molecular weight of 2067.24 g/mol, XLogP of 17.22, 9 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethyl)oxetan-3-yl]oxypyridine;6-[5-fluoro-6-[3-(trifluoromethyl)oxetan-3-yl]oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;oxetan-3-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;3-(trifluoromethyl)oxetan-3-ol is sourced from PubChem (CID 158843980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).