sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol

C71H75BBr2Cl3F27N17NaO9 — CID 157216501

About sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol

sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol (PubChem CID 157216501) has the molecular formula C71H75BBr2Cl3F27N17NaO9 and a molecular weight of 2123.41 g/mol. Its IUPAC name is sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol.

Molecular Properties

• Compound Name: sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol
• PubChem CID: 157216501
• Molecular Formula: C71H75BBr2Cl3F27N17NaO9
• Molecular Weight: 2123.41 g/mol
• Exact Mass: 2119.29
• IUPAC Name: sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol
• SMILES: C.C.C.C.C.C.CC1(C)OB(c2cnc(OCC(F)(F)F)c(F)c2)OC1(C)C.FC(F)(Cl)c1nnc2cnc(Cl)cn12.Fc1cc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cnc1OCC(F)(F)F.Fc1cc(-c2cn3c(C(F)(F)OC4CC4)nnc3cn2)cnc1OCC(F)(F)F.Fc1cc(Br)cnc1F.Fc1cc(Br)cnc1OCC(F)(F)F.OC1CC1.OCC(F)(F)F.[H-].[Na+]
• InChI: InChI=1S/C16H11F6N5O2.C13H16BF4NO3.C13H6ClF6N5O.C7H4BrF4NO.C6H2Cl2F2N4.C5H2BrF2N.C3H6O.C2H3F3O.6CH4.Na.H/c17-10-3-8(4-24-13(10)28-7-15(18,19)20)11-6-27-12(5-23-11)25-26-14(27)16(21,22)29-9-1-2-9;1-11(2)12(3,4)22-14(21-11)8-5-9(15)10(19-6-8)20-7-13(16,17)18;14-13(19,20)11-24-23-9-3-21-8(4-25(9)11)6-1-7(15)10(22-2-6)26-5-12(16,17)18;8-4-1-5(9)6(13-2-4)14-3-7(10,11)12;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;4-3-1-2-3;3-2(4,5)1-6;;;;;;;;/h3-6,9H,1-2,7H2;5-6H,7H2,1-4H3;1-4H,5H2;1-2H,3H2;1-2H;1-2H;3-4H,1-2H2;6H,1H2;6*1H4;;/q;;;;;;;;;;;;;;+1;-1
• InChIKey: DDISKAFMDAATCD-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 298.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.41
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol?

The IUPAC name of sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol (CID 157216501) is sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol.

What is the SMILES notation for sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol?

The canonical SMILES for sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol is C.C.C.C.C.C.CC1(C)OB(c2cnc(OCC(F)(F)F)c(F)c2)OC1(C)C.FC(F)(Cl)c1nnc2cnc(Cl)cn12.Fc1cc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cnc1OCC(F)(F)F.Fc1cc(-c2cn3c(C(F)(F)OC4CC4)nnc3cn2)cnc1OCC(F)(F)F.Fc1cc(Br)cnc1F.Fc1cc(Br)cnc1OCC(F)(F)F.OC1CC1.OCC(F)(F)F.[H-].[Na+].

What is the InChIKey of sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol?

The InChIKey is DDISKAFMDAATCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N5O2.C13H16BF4NO3.C13H6ClF6N5O.C7H4BrF4NO.C6H2Cl2F2N4.C5H2BrF2N.C3H6O.C2H3F3O.6CH4.Na.H/c17-10-3-8(4-24-13(10)28-7-15(18,19)20)11-6-27-12(5-23-11)25-26-14(27)16(21,22)29-9-1-2-9;1-11(2)12(3,4)22-14(21-11)8-5-9(15)10(19-6-8)20-7-13(16,17)18;14-13(19,20)11-24-23-9-3-21-8(4-25(9)11)6-1-7(15)10(22-2-6)26-5-12(16,17)18;8-4-1-5(9)6(13-2-4)14-3-7(10,11)12;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;4-3-1-2-3;3-2(4,5)1-6;;;;;;;;/h3-6,9H,1-2,7H2;5-6H,7H2,1-4H3;1-4H,5H2;1-2H,3H2;1-2H;1-2H;3-4H,1-2H2;6H,1H2;6*1H4;;/q;;;;;;;;;;;;;;+1;-1.

What are the key properties of sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol?

sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol has a molecular weight of 2123.41 g/mol, XLogP of 18.24, 16 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(2,2,2-trifluoroethoxy)pyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropanol;3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;hydride;methane;2,2,2-trifluoroethanol is sourced from PubChem (CID 157216501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).