acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen

C94H112BBrCl2F26N22O12 — CID 157154965

About acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen

acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen (PubChem CID 157154965) has the molecular formula C94H112BBrCl2F26N22O12 and a molecular weight of 2397.64 g/mol. Its IUPAC name is acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen.

Molecular Properties

• Compound Name: acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen
• PubChem CID: 157154965
• Molecular Formula: C94H112BBrCl2F26N22O12
• Molecular Weight: 2397.64 g/mol
• Exact Mass: 2394.71
• IUPAC Name: acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen
• SMILES: C.C.C.C.C.CC(=O)O.CC(C)(Oc1ncc(-c2cn3c(C4CC(F)(F)C4)nnc3cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2cnc(Cl)cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2cnc(NCC(=O)C3CC(F)(F)C3)cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2cnc(NN)cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.Clc1cnc(Br)cn1.O=C(O)C1CC(F)(F)C1.[H]/N=N/[H].[H][H]
• InChI: InChI=1S/C19H18F6N4O2.C18H15F6N5O.C15H20BF4NO3.C13H10ClF4N3O.C13H13F4N5O.C5H6F2O2.C4H2BrClN2.C2H4O2.5CH4.H2N2.H2/c1-17(2,19(23,24)25)31-16-12(20)3-10(6-29-16)13-7-27-15(9-26-13)28-8-14(30)11-4-18(21,22)5-11;1-16(2,18(22,23)24)30-15-11(19)3-9(6-26-15)12-8-29-13(7-25-12)27-28-14(29)10-4-17(20,21)5-10;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;1-12(2,13(16,17)18)22-11-8(15)3-7(4-21-11)9-5-20-10(14)6-19-9;1-12(2,13(15,16)17)23-11-8(14)3-7(4-21-11)9-5-20-10(22-18)6-19-9;6-5(7)1-3(2-5)4(8)9;5-3-1-8-4(6)2-7-3;1-2(3)4;;;;;;1-2;/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,27,28);3,6-8,10H,4-5H2,1-2H3;7-8H,1-6H3;3-6H,1-2H3;3-6H,18H2,1-2H3,(H,20,22);3H,1-2H2,(H,8,9);1-2H;1H3,(H,3,4);5*1H4;1-2H;1H/b;;;;;;;;;;;;;2-1+
• InChIKey: ZCNYFNLHQTWFPR-SPMKNEQPSA-N
• XLogP: 26.08
• TPSA: 464.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2397.64
LogP ≤ 5	26.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen?

The IUPAC name of acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen (CID 157154965) is acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen.

What is the SMILES notation for acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen?

The canonical SMILES for acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen is C.C.C.C.C.CC(=O)O.CC(C)(Oc1ncc(-c2cn3c(C4CC(F)(F)C4)nnc3cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2cnc(Cl)cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2cnc(NCC(=O)C3CC(F)(F)C3)cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(-c2cnc(NN)cn2)cc1F)C(F)(F)F.CC(C)(Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(F)(F)F.Clc1cnc(Br)cn1.O=C(O)C1CC(F)(F)C1.[H]/N=N/[H].[H][H].

What is the InChIKey of acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen?

The InChIKey is ZCNYFNLHQTWFPR-SPMKNEQPSA-N. The full InChI is InChI=1S/C19H18F6N4O2.C18H15F6N5O.C15H20BF4NO3.C13H10ClF4N3O.C13H13F4N5O.C5H6F2O2.C4H2BrClN2.C2H4O2.5CH4.H2N2.H2/c1-17(2,19(23,24)25)31-16-12(20)3-10(6-29-16)13-7-27-15(9-26-13)28-8-14(30)11-4-18(21,22)5-11;1-16(2,18(22,23)24)30-15-11(19)3-9(6-26-15)12-8-29-13(7-25-12)27-28-14(29)10-4-17(20,21)5-10;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;1-12(2,13(16,17)18)22-11-8(15)3-7(4-21-11)9-5-20-10(14)6-19-9;1-12(2,13(15,16)17)23-11-8(14)3-7(4-21-11)9-5-20-10(22-18)6-19-9;6-5(7)1-3(2-5)4(8)9;5-3-1-8-4(6)2-7-3;1-2(3)4;;;;;;1-2;/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,27,28);3,6-8,10H,4-5H2,1-2H3;7-8H,1-6H3;3-6H,1-2H3;3-6H,18H2,1-2H3,(H,20,22);3H,1-2H2,(H,8,9);1-2H;1H3,(H,3,4);5*1H4;1-2H;1H/b;;;;;;;;;;;;;2-1+;.

What are the key properties of acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen?

acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen has a molecular weight of 2397.64 g/mol, XLogP of 26.08, 22 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;2-bromo-5-chloropyrazine;2-chloro-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazine;diazene;3,3-difluorocyclobutane-1-carboxylic acid;1-(3,3-difluorocyclobutyl)-2-[[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-(3,3-difluorocyclobutyl)-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;[5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;molecular hydrogen is sourced from PubChem (CID 157154965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).