sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane

C91H95BBr2Cl8F28N25NaO12 — CID 163622169

About sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane

sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane (PubChem CID 163622169) has the molecular formula C91H95BBr2Cl8F28N25NaO12 and a molecular weight of 2740.10 g/mol. Its IUPAC name is sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane.

Molecular Properties

• Compound Name: sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane
• PubChem CID: 163622169
• Molecular Formula: C91H95BBr2Cl8F28N25NaO12
• Molecular Weight: 2740.10 g/mol
• Exact Mass: 2733.30
• IUPAC Name: sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane
• SMILES: C.C.C.C.C.C.C.CC1(C)OB(c2cnc(OC3CC(F)(F)C3)c(F)c2)OC1(C)C.COC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.FC(F)(Cl)c1nnc2cnc(Cl)cn12.Fc1cc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cnc1OC1CC(F)(F)C1.Fc1cc(Br)cnc1F.Fc1cc(Br)cnc1OC1CC(F)(F)C1.NNc1cnc(Cl)cn1.O=C(NNc1cnc(Cl)cn1)C(F)(F)Cl.O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl.OC1CC(F)(F)C1.[H-].[Na+]
• InChI: InChI=1S/C16H12F5N5O2.C15H19BF3NO3.C15H9ClF5N5O.C9H7BrF3NO.C6H4Cl2F2N4O.C6H2Cl2F2N4.C5H2BrF2N.C4Cl2F4O3.C4H5ClN4.C4H6F2O.7CH4.Na.H/c1-27-16(20,21)14-25-24-12-6-22-11(7-26(12)14)8-2-10(17)13(23-5-8)28-9-3-15(18,19)4-9;1-13(2)14(3,4)23-16(22-13)9-5-11(17)12(20-8-9)21-10-6-15(18,19)7-10;16-15(20,21)13-25-24-11-5-22-10(6-26(11)13)7-1-9(17)12(23-4-7)27-8-2-14(18,19)3-8;10-5-1-7(11)8(14-4-5)15-6-2-9(12,13)3-6;7-3-1-12-4(2-11-3)13-14-5(15)6(8,9)10;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;5-3(7,8)1(11)13-2(12)4(6,9)10;5-3-1-8-4(9-6)2-7-3;5-4(6)1-3(7)2-4;;;;;;;;;/h2,5-7,9H,3-4H2,1H3;5,8,10H,6-7H2,1-4H3;1,4-6,8H,2-3H2;1,4,6H,2-3H2;1-2H,(H,12,13)(H,14,15);1-2H;1-2H;;1-2H,6H2,(H,8,9);3,7H,1-2H2;7*1H4;;/q;;;;;;;;;;;;;;;;;+1;-1
• InChIKey: VCSHNGIXROYDDY-UHFFFAOYSA-N
• XLogP: 22.92
• TPSA: 452.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2740.10
LogP ≤ 5	22.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane?

The IUPAC name of sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane (CID 163622169) is sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane.

What is the SMILES notation for sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane?

The canonical SMILES for sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane is C.C.C.C.C.C.C.CC1(C)OB(c2cnc(OC3CC(F)(F)C3)c(F)c2)OC1(C)C.COC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.FC(F)(Cl)c1nnc2cnc(Cl)cn12.Fc1cc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cnc1OC1CC(F)(F)C1.Fc1cc(Br)cnc1F.Fc1cc(Br)cnc1OC1CC(F)(F)C1.NNc1cnc(Cl)cn1.O=C(NNc1cnc(Cl)cn1)C(F)(F)Cl.O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl.OC1CC(F)(F)C1.[H-].[Na+].

What is the InChIKey of sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane?

The InChIKey is VCSHNGIXROYDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5N5O2.C15H19BF3NO3.C15H9ClF5N5O.C9H7BrF3NO.C6H4Cl2F2N4O.C6H2Cl2F2N4.C5H2BrF2N.C4Cl2F4O3.C4H5ClN4.C4H6F2O.7CH4.Na.H/c1-27-16(20,21)14-25-24-12-6-22-11(7-26(12)14)8-2-10(17)13(23-5-8)28-9-3-15(18,19)4-9;1-13(2)14(3,4)23-16(22-13)9-5-11(17)12(20-8-9)21-10-6-15(18,19)7-10;16-15(20,21)13-25-24-11-5-22-10(6-26(11)13)7-1-9(17)12(23-4-7)27-8-2-14(18,19)3-8;10-5-1-7(11)8(14-4-5)15-6-2-9(12,13)3-6;7-3-1-12-4(2-11-3)13-14-5(15)6(8,9)10;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;5-3(7,8)1(11)13-2(12)4(6,9)10;5-3-1-8-4(9-6)2-7-3;5-4(6)1-3(7)2-4;;;;;;;;;/h2,5-7,9H,3-4H2,1H3;5,8,10H,6-7H2,1-4H3;1,4-6,8H,2-3H2;1,4,6H,2-3H2;1-2H,(H,12,13)(H,14,15);1-2H;1-2H;;1-2H,6H2,(H,8,9);3,7H,1-2H2;7*1H4;;/q;;;;;;;;;;;;;;;;;+1;-1.

What are the key properties of sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane?

sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane has a molecular weight of 2740.10 g/mol, XLogP of 22.92, 21 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-N'-(5-chloropyrazin-2-yl)-2,2-difluoroacetohydrazide;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane is sourced from PubChem (CID 163622169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).