2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen

C74H68BBrCl5F28N23O12 — CID 164990942

About 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen

2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen (PubChem CID 164990942) has the molecular formula C74H68BBrCl5F28N23O12 and a molecular weight of 2271.43 g/mol. Its IUPAC name is 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen.

Molecular Properties

• Compound Name: 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen
• PubChem CID: 164990942
• Molecular Formula: C74H68BBrCl5F28N23O12
• Molecular Weight: 2271.43 g/mol
• Exact Mass: 2267.27
• IUPAC Name: 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen
• SMILES: C.C.C.CC1(C)OB(c2cnc(OCC(F)(F)F)c(F)c2)OC1(C)C.CO.COC(F)(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.Clc1cnc(Br)cn1.Fc1cc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cnc1OCC(F)(F)F.Fc1cc(-c2cnc(Cl)cn2)cnc1OCC(F)(F)F.NNc1cnc(-c2cnc(OCC(F)(F)F)c(F)c2)cn1.O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl.[H]/N=N/[H].[H][H]
• InChI: InChI=1S/C14H9F6N5O2.C13H16BF4NO3.C13H6ClF6N5O.C11H6ClF4N3O.C11H9F4N5O.C4H2BrClN2.C4Cl2F4O3.CH4O.3CH4.H2N2.H2/c1-26-14(19,20)12-24-23-10-4-21-9(5-25(10)12)7-2-8(15)11(22-3-7)27-6-13(16,17)18;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;12-9-4-17-8(3-18-9)6-1-7(13)10(19-2-6)20-5-11(14,15)16;12-7-1-6(8-3-18-9(20-16)4-17-8)2-19-10(7)21-5-11(13,14)15;5-3-1-8-4(6)2-7-3;5-3(7,8)1(11)13-2(12)4(6,9)10;1-2;;;;1-2;/h2-5H,6H2,1H3;5-6H,7H2,1-4H3;1-4H,5H2;1-4H,5H2;1-4H,5,16H2,(H,18,20);1-2H;;2H,1H3;3*1H4;1-2H;1H/b;;;;;;;;;;;2-1+
• InChIKey: GVMXGMKCPMFAMF-VFSYVQRKSA-N
• XLogP: 20.13
• TPSA: 451.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2271.43
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen?

The IUPAC name of 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen (CID 164990942) is 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen.

What is the SMILES notation for 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen?

The canonical SMILES for 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen is C.C.C.CC1(C)OB(c2cnc(OCC(F)(F)F)c(F)c2)OC1(C)C.CO.COC(F)(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.Clc1cnc(Br)cn1.Fc1cc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cnc1OCC(F)(F)F.Fc1cc(-c2cnc(Cl)cn2)cnc1OCC(F)(F)F.NNc1cnc(-c2cnc(OCC(F)(F)F)c(F)c2)cn1.O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl.[H]/N=N/[H].[H][H].

What is the InChIKey of 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen?

The InChIKey is GVMXGMKCPMFAMF-VFSYVQRKSA-N. The full InChI is InChI=1S/C14H9F6N5O2.C13H16BF4NO3.C13H6ClF6N5O.C11H6ClF4N3O.C11H9F4N5O.C4H2BrClN2.C4Cl2F4O3.CH4O.3CH4.H2N2.H2/c1-26-14(19,20)12-24-23-10-4-21-9(5-25(10)12)7-2-8(15)11(22-3-7)27-6-13(16,17)18;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;12-9-4-17-8(3-18-9)6-1-7(13)10(19-2-6)20-5-11(14,15)16;12-7-1-6(8-3-18-9(20-16)4-17-8)2-19-10(7)21-5-11(13,14)15;5-3-1-8-4(6)2-7-3;5-3(7,8)1(11)13-2(12)4(6,9)10;1-2;;;;1-2;/h2-5H,6H2,1H3;5-6H,7H2,1-4H3;1-4H,5H2;1-4H,5H2;1-4H,5,16H2,(H,18,20);1-2H;;2H,1H3;3*1H4;1-2H;1H/b;;;;;;;;;;;2-1+;.

What are the key properties of 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen?

2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen has a molecular weight of 2271.43 g/mol, XLogP of 20.13, 21 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)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;[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methanol;molecular hydrogen is sourced from PubChem (CID 164990942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).