2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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

C91H84BBr5Cl3F34N25O13 — CID 165046832

About 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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

2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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 (PubChem CID 165046832) has the molecular formula C91H84BBr5Cl3F34N25O13 and a molecular weight of 2898.46 g/mol. Its IUPAC name is 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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.

Molecular Properties

• Compound Name: 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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
• PubChem CID: 165046832
• Molecular Formula: C91H84BBr5Cl3F34N25O13
• Molecular Weight: 2898.46 g/mol
• Exact Mass: 2891.12
• IUPAC Name: 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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
• SMILES: C.C.C.C.C.C.CC1(C)OB(c2cnc(OCC(F)(F)F)c(F)c2)OC1(C)C.CCOC(F)(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.Clc1cnc(Br)cn1.Fc1cc(-c2cn3c(C(F)(F)Br)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(CNc1cnc(-c2cnc(OCC(F)(F)F)c(F)c2)cn1)C(F)(F)Br.O=C(Cl)C(F)(F)Br.O=C(O)C(F)(F)Br
• InChI: InChI=1S/C15H11F6N5O2.C14H9BrF6N4O2.C13H16BF4NO3.C13H6BrF6N5O.C11H6ClF4N3O.C11H9F4N5O.C4H2BrClN2.C2BrClF2O.C2HBrF2O2.6CH4/c1-2-28-15(20,21)13-25-24-11-5-22-10(6-26(11)13)8-3-9(16)12(23-4-8)27-7-14(17,18)19;15-14(20,21)10(26)4-24-11-5-22-9(3-23-11)7-1-8(16)12(25-2-7)27-6-13(17,18)19;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;3-2(5,6)1(4)7;3-2(4,5)1(6)7;;;;;;/h3-6H,2,7H2,1H3;1-3,5H,4,6H2,(H,23,24);5-6H,7H2,1-4H3;1-4H,5H2;1-4H,5H2;1-4H,5,16H2,(H,18,20);1-2H;;(H,6,7);6*1H4
• InChIKey: PASRROYXLIAXFF-UHFFFAOYSA-N
• XLogP: 26.80
• TPSA: 471.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2898.46
LogP ≤ 5	26.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_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 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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?

The IUPAC name of 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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 (CID 165046832) is 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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.

What is the SMILES notation for 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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?

The canonical SMILES for 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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 is C.C.C.C.C.C.CC1(C)OB(c2cnc(OCC(F)(F)F)c(F)c2)OC1(C)C.CCOC(F)(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.Clc1cnc(Br)cn1.Fc1cc(-c2cn3c(C(F)(F)Br)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(CNc1cnc(-c2cnc(OCC(F)(F)F)c(F)c2)cn1)C(F)(F)Br.O=C(Cl)C(F)(F)Br.O=C(O)C(F)(F)Br.

What is the InChIKey of 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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?

The InChIKey is PASRROYXLIAXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5O2.C14H9BrF6N4O2.C13H16BF4NO3.C13H6BrF6N5O.C11H6ClF4N3O.C11H9F4N5O.C4H2BrClN2.C2BrClF2O.C2HBrF2O2.6CH4/c1-2-28-15(20,21)13-25-24-11-5-22-10(6-26(11)13)8-3-9(16)12(23-4-8)27-7-14(17,18)19;15-14(20,21)10(26)4-24-11-5-22-9(3-23-11)7-1-8(16)12(25-2-7)27-6-13(17,18)19;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;3-2(5,6)1(4)7;3-2(4,5)1(6)7;;;;;;/h3-6H,2,7H2,1H3;1-3,5H,4,6H2,(H,23,24);5-6H,7H2,1-4H3;1-4H,5H2;1-4H,5H2;1-4H,5,16H2,(H,18,20);1-2H;;(H,6,7);6*1H4.

What are the key properties of 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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?

2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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 has a molecular weight of 2898.46 g/mol, XLogP of 26.80, 29 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-chloropyrazine;2-bromo-2,2-difluoroacetic acid;2-bromo-2,2-difluoroacetyl chloride;1-bromo-1,1-difluoro-3-[[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazin-2-yl]amino]propan-2-one;3-[bromo(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;3-[ethoxy(difluoro)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 is sourced from PubChem (CID 165046832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).