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

C70H93B3Br2ClF19N12O10 — CID 160905372

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

5-bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-methylpropan-2-ol;3-(trifluoromethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 160905372) has the molecular formula C70H93B3Br2ClF19N12O10 and a molecular weight of 1851.25 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-methylpropan-2-ol;3-(trifluoromethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-methylpropan-2-ol;3-(trifluoromethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 160905372
• Molecular Formula: C70H93B3Br2ClF19N12O10
• Molecular Weight: 1851.25 g/mol
• Exact Mass: 1848.52
• IUPAC Name: 5-bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-methylpropan-2-ol;3-(trifluoromethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: C.C.C.C.CC(C)(O)C(F)(F)F.CC(C)(Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cn1)C(F)(F)F.CC(C)(Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)(F)F.CC(C)(Oc1ccc(Br)cn1)C(F)(F)F.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.FC(F)(F)c1nnc2cnc(Cl)cn12.Fc1ccc(Br)cn1
• InChI: InChI=1S/C15H21BF3NO3.C15H11F6N5O.C12H24B2O4.C9H9BrF3NO.C6H2ClF3N4.C5H3BrFN.C4H7F3O.4CH4/c1-12(2)13(3,4)23-16(22-12)10-7-8-11(20-9-10)21-14(5,6)15(17,18)19;1-13(2,15(19,20)21)27-11-4-3-8(5-23-11)9-7-26-10(6-22-9)24-25-12(26)14(16,17)18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8(2,9(11,12)13)15-7-4-3-6(10)5-14-7;7-3-2-14-4(1-11-3)12-13-5(14)6(8,9)10;6-4-1-2-5(7)8-3-4;1-3(2,8)4(5,6)7;;;;/h7-9H,1-6H3;3-7H,1-2H3;1-8H3;3-5H,1-2H3;1-2H;1-3H;8H,1-2H3;4*1H4
• InChIKey: SQBNGVFCDOGWGC-UHFFFAOYSA-N
• XLogP: 20.48
• TPSA: 241.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1851.25
LogP ≤ 5	20.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

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-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-methylpropan-2-ol;3-(trifluoromethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 5-bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-methylpropan-2-ol;3-(trifluoromethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 160905372) is 5-bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-methylpropan-2-ol;3-(trifluoromethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

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

The canonical SMILES for 5-bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-methylpropan-2-ol;3-(trifluoromethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is C.C.C.C.CC(C)(O)C(F)(F)F.CC(C)(Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cn1)C(F)(F)F.CC(C)(Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(F)(F)F.CC(C)(Oc1ccc(Br)cn1)C(F)(F)F.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.FC(F)(F)c1nnc2cnc(Cl)cn12.Fc1ccc(Br)cn1.

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

The InChIKey is SQBNGVFCDOGWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BF3NO3.C15H11F6N5O.C12H24B2O4.C9H9BrF3NO.C6H2ClF3N4.C5H3BrFN.C4H7F3O.4CH4/c1-12(2)13(3,4)23-16(22-12)10-7-8-11(20-9-10)21-14(5,6)15(17,18)19;1-13(2,15(19,20)21)27-11-4-3-8(5-23-11)9-7-26-10(6-22-9)24-25-12(26)14(16,17)18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8(2,9(11,12)13)15-7-4-3-6(10)5-14-7;7-3-2-14-4(1-11-3)12-13-5(14)6(8,9)10;6-4-1-2-5(7)8-3-4;1-3(2,8)4(5,6)7;;;;/h7-9H,1-6H3;3-7H,1-2H3;1-8H3;3-5H,1-2H3;1-2H;1-3H;8H,1-2H3;4*1H4.

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

5-bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-methylpropan-2-ol;3-(trifluoromethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 1851.25 g/mol, XLogP of 20.48, 9 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyridine;5-bromo-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-methylpropan-2-ol;3-(trifluoromethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 160905372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).