2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen

C72H75BBrCl5F22N18O9 — CID 159593537

About 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen

2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen (PubChem CID 159593537) has the molecular formula C72H75BBrCl5F22N18O9 and a molecular weight of 2022.45 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-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;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-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen
• PubChem CID: 159593537
• Molecular Formula: C72H75BBrCl5F22N18O9
• Molecular Weight: 2022.45 g/mol
• Exact Mass: 2018.33
• IUPAC Name: 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen
• SMILES: C.C.C.C.CC1(C)OB(c2cnc(OC3(C(F)(F)F)CCC3)c(F)c2)OC1(C)C.Clc1cnc(Br)cn1.Fc1cc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cnc1OC1(C(F)(F)F)CCC1.Fc1cc(-c2cnc(Cl)cn2)cnc1OC1(C(F)(F)F)CCC1.NNc1cnc(-c2cnc(OC3(C(F)(F)F)CCC3)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/C16H20BF4NO3.C16H10ClF6N5O.C14H10ClF4N3O.C14H13F4N5O.C4H2BrClN2.C4Cl2F4O3.4CH4.H2N2.H2/c1-13(2)14(3,4)25-17(24-13)10-8-11(18)12(22-9-10)23-15(6-5-7-15)16(19,20)21;17-15(19,20)13-27-26-11-6-24-10(7-28(11)13)8-4-9(18)12(25-5-8)29-14(2-1-3-14)16(21,22)23;15-11-7-20-10(6-21-11)8-4-9(16)12(22-5-8)23-13(2-1-3-13)14(17,18)19;15-9-4-8(10-6-21-11(23-19)7-20-10)5-22-12(9)24-13(2-1-3-13)14(16,17)18;5-3-1-8-4(6)2-7-3;5-3(7,8)1(11)13-2(12)4(6,9)10;;;;;1-2;/h8-9H,5-7H2,1-4H3;4-7H,1-3H2;4-7H,1-3H2;4-7H,1-3,19H2,(H,21,23);1-2H;;4*1H4;1-2H;1H/b;;;;;;;;;;2-1+
• InChIKey: MKNQEOJRABSDKM-YYRYGQKYSA-N
• XLogP: 21.88
• TPSA: 356.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2022.45
LogP ≤ 5	21.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

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-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;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-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen (CID 159593537) is 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;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-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;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-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen is C.C.C.C.CC1(C)OB(c2cnc(OC3(C(F)(F)F)CCC3)c(F)c2)OC1(C)C.Clc1cnc(Br)cn1.Fc1cc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cnc1OC1(C(F)(F)F)CCC1.Fc1cc(-c2cnc(Cl)cn2)cnc1OC1(C(F)(F)F)CCC1.NNc1cnc(-c2cnc(OC3(C(F)(F)F)CCC3)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-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen?

The InChIKey is MKNQEOJRABSDKM-YYRYGQKYSA-N. The full InChI is InChI=1S/C16H20BF4NO3.C16H10ClF6N5O.C14H10ClF4N3O.C14H13F4N5O.C4H2BrClN2.C4Cl2F4O3.4CH4.H2N2.H2/c1-13(2)14(3,4)25-17(24-13)10-8-11(18)12(22-9-10)23-15(6-5-7-15)16(19,20)21;17-15(19,20)13-27-26-11-6-24-10(7-28(11)13)8-4-9(18)12(25-5-8)29-14(2-1-3-14)16(21,22)23;15-11-7-20-10(6-21-11)8-4-9(16)12(22-5-8)23-13(2-1-3-13)14(17,18)19;15-9-4-8(10-6-21-11(23-19)7-20-10)5-22-12(9)24-13(2-1-3-13)14(16,17)18;5-3-1-8-4(6)2-7-3;5-3(7,8)1(11)13-2(12)4(6,9)10;;;;;1-2;/h8-9H,5-7H2,1-4H3;4-7H,1-3H2;4-7H,1-3H2;4-7H,1-3,19H2,(H,21,23);1-2H;;4*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-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen?

2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen has a molecular weight of 2022.45 g/mol, XLogP of 21.88, 16 rotatable bonds, 4 hydrogen bond donors, and 27 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-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazine;diazene;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclobutyl]oxypyridine;[5-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen is sourced from PubChem (CID 159593537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).