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

C81H86BBrCl5F28N23O11 — CID 159008432

About 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen (PubChem CID 159008432) has the molecular formula C81H86BBrCl5F28N23O11 and a molecular weight of 2357.65 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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen
• PubChem CID: 159008432
• Molecular Formula: C81H86BBrCl5F28N23O11
• Molecular Weight: 2357.65 g/mol
• Exact Mass: 2353.41
• IUPAC Name: 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen
• SMILES: C.C.C.C.C.C.COC(F)(F)c1nnc2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cn12.C[C@H](Oc1ncc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cnc(Cl)cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cnc(NN)cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.Clc1cnc(Br)cn1.O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl.[H]/N=N/[H].[H][H]
• InChI: InChI=1S/C15H11F6N5O2.C14H18BF4NO3.C14H8ClF6N5O.C12H8ClF4N3O.C12H11F4N5O.C4H2BrClN2.C4Cl2F4O3.6CH4.H2N2.H2/c1-7(14(17,18)19)28-12-9(16)3-8(4-23-12)10-6-26-11(5-22-10)24-25-13(26)15(20,21)27-2;1-8(14(17,18)19)21-11-10(16)6-9(7-20-11)15-22-12(2,3)13(4,5)23-15;1-6(14(19,20)21)27-11-8(16)2-7(3-23-11)9-5-26-10(4-22-9)24-25-12(26)13(15,17)18;1-6(12(15,16)17)21-11-8(14)2-7(3-20-11)9-4-19-10(13)5-18-9;1-6(12(14,15)16)22-11-8(13)2-7(3-20-11)9-4-19-10(21-17)5-18-9;5-3-1-8-4(6)2-7-3;5-3(7,8)1(11)13-2(12)4(6,9)10;;;;;;;1-2;/h3-7H,1-2H3;6-8H,1-5H3;2-6H,1H3;2-6H,1H3;2-6H,17H2,1H3,(H,19,21);1-2H;;6*1H4;1-2H;1H/b;;;;;;;;;;;;;2-1+;/t7-;8-;3*6-;;;;;;;;;;/m00000........../s1
• InChIKey: JSFCPYOOHCWWNS-UWFYCFKWSA-N
• XLogP: 24.37
• TPSA: 430.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2357.65
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen (CID 159008432) is 2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen is C.C.C.C.C.C.COC(F)(F)c1nnc2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cn12.C[C@H](Oc1ncc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cnc(Cl)cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cnc(NN)cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.Clc1cnc(Br)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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen?

The InChIKey is JSFCPYOOHCWWNS-UWFYCFKWSA-N. The full InChI is InChI=1S/C15H11F6N5O2.C14H18BF4NO3.C14H8ClF6N5O.C12H8ClF4N3O.C12H11F4N5O.C4H2BrClN2.C4Cl2F4O3.6CH4.H2N2.H2/c1-7(14(17,18)19)28-12-9(16)3-8(4-23-12)10-6-26-11(5-22-10)24-25-13(26)15(20,21)27-2;1-8(14(17,18)19)21-11-10(16)6-9(7-20-11)15-22-12(2,3)13(4,5)23-15;1-6(14(19,20)21)27-11-8(16)2-7(3-23-11)9-5-26-10(4-22-9)24-25-12(26)13(15,17)18;1-6(12(15,16)17)21-11-8(14)2-7(3-20-11)9-4-19-10(13)5-18-9;1-6(12(14,15)16)22-11-8(13)2-7(3-20-11)9-4-19-10(21-17)5-18-9;5-3-1-8-4(6)2-7-3;5-3(7,8)1(11)13-2(12)4(6,9)10;;;;;;;1-2;/h3-7H,1-2H3;6-8H,1-5H3;2-6H,1H3;2-6H,1H3;2-6H,17H2,1H3,(H,19,21);1-2H;;6*1H4;1-2H;1H/b;;;;;;;;;;;;;2-1+;/t7-;8-;3*6-;;;;;;;;;;/m00000........../s1.

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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen has a molecular weight of 2357.65 g/mol, XLogP of 24.37, 21 rotatable bonds, 4 hydrogen bond donors, and 34 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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine;[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen is sourced from PubChem (CID 159008432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).