sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol

C80H110BBr2Cl4F17N19NaO11 — CID 158940087

About sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol

sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 158940087) has the molecular formula C80H110BBr2Cl4F17N19NaO11 and a molecular weight of 2172.27 g/mol. Its IUPAC name is sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol
• PubChem CID: 158940087
• Molecular Formula: C80H110BBr2Cl4F17N19NaO11
• Molecular Weight: 2172.27 g/mol
• Exact Mass: 2167.55
• IUPAC Name: sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol
• SMILES: C.C.C.C.C.C.CC(C)(O)C(F)(F)F.CC(C)(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(Br)cc1F)C(F)(F)F.CCC(=O)Cl.CCOCC(=O)CNc1cnc(Cl)cn1.CCOCc1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.CCOCc1nnc2cnc(Cl)cn12.Fc1cc(Br)cnc1F.NNc1cnc(Cl)cn1.[H-].[Na+]
• InChI: InChI=1S/C17H17F4N5O2.C15H20BF4NO3.C9H8BrF4NO.C9H12ClN3O2.C8H9ClN4O.C5H2BrF2N.C4H5ClN4.C4H7F3O.C3H5ClO.6CH4.Na.H/c1-4-27-9-14-25-24-13-7-22-12(8-26(13)14)10-5-11(18)15(23-6-10)28-16(2,3)17(19,20)21;1-12(2)13(3,4)24-16(23-12)9-7-10(17)11(21-8-9)22-14(5,6)15(18,19)20;1-8(2,9(12,13)14)16-7-6(11)3-5(10)4-15-7;1-2-15-6-7(14)3-12-9-5-11-8(10)4-13-9;1-2-14-5-8-12-11-7-3-10-6(9)4-13(7)8;6-3-1-4(7)5(8)9-2-3;5-3-1-8-4(9-6)2-7-3;1-3(2,8)4(5,6)7;1-2-3(4)5;;;;;;;;/h5-8H,4,9H2,1-3H3;7-8H,1-6H3;3-4H,1-2H3;4-5H,2-3,6H2,1H3,(H,12,13);3-4H,2,5H2,1H3;1-2H;1-2H,6H2,(H,8,9);8H,1-2H3;2H2,1H3;6*1H4;;/q;;;;;;;;;;;;;;;+1;-1
• InChIKey: UXEBHVBCZJPRLA-UHFFFAOYSA-N
• XLogP: 18.94
• TPSA: 367.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2172.27
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol?

The IUPAC name of sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol (CID 158940087) is sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol.

What is the SMILES notation for sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol?

The canonical SMILES for sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol is C.C.C.C.C.C.CC(C)(O)C(F)(F)F.CC(C)(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(Br)cc1F)C(F)(F)F.CCC(=O)Cl.CCOCC(=O)CNc1cnc(Cl)cn1.CCOCc1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.CCOCc1nnc2cnc(Cl)cn12.Fc1cc(Br)cnc1F.NNc1cnc(Cl)cn1.[H-].[Na+].

What is the InChIKey of sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol?

The InChIKey is UXEBHVBCZJPRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N5O2.C15H20BF4NO3.C9H8BrF4NO.C9H12ClN3O2.C8H9ClN4O.C5H2BrF2N.C4H5ClN4.C4H7F3O.C3H5ClO.6CH4.Na.H/c1-4-27-9-14-25-24-13-7-22-12(8-26(13)14)10-5-11(18)15(23-6-10)28-16(2,3)17(19,20)21;1-12(2)13(3,4)24-16(23-12)9-7-10(17)11(21-8-9)22-14(5,6)15(18,19)20;1-8(2,9(12,13)14)16-7-6(11)3-5(10)4-15-7;1-2-15-6-7(14)3-12-9-5-11-8(10)4-13-9;1-2-14-5-8-12-11-7-3-10-6(9)4-13(7)8;6-3-1-4(7)5(8)9-2-3;5-3-1-8-4(9-6)2-7-3;1-3(2,8)4(5,6)7;1-2-3(4)5;;;;;;;;/h5-8H,4,9H2,1-3H3;7-8H,1-6H3;3-4H,1-2H3;4-5H,2-3,6H2,1H3,(H,12,13);3-4H,2,5H2,1H3;1-2H;1-2H,6H2,(H,8,9);8H,1-2H3;2H2,1H3;6*1H4;;/q;;;;;;;;;;;;;;;+1;-1.

What are the key properties of sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol?

sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 2172.27 g/mol, XLogP of 18.94, 22 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-bromo-2,3-difluoropyridine;5-bromo-3-fluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;6-chloro-3-(ethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-[(5-chloropyrazin-2-yl)amino]-3-ethoxypropan-2-one;(5-chloropyrazin-2-yl)hydrazine;3-(ethoxymethyl)-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-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-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypyridine;hydride;methane;propanoyl chloride;1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 158940087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).