2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C84H77B2Br2F24N21O7S — CID 161082131

About 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 161082131) has the molecular formula C84H77B2Br2F24N21O7S and a molecular weight of 2162.13 g/mol. Its IUPAC name is 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 161082131
• Molecular Formula: C84H77B2Br2F24N21O7S
• Molecular Weight: 2162.13 g/mol
• Exact Mass: 2159.42
• IUPAC Name: 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: CC.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CCOS(=O)(=O)C(F)(F)F.FC(F)(F)c1cccc(-c2ccn[nH]2)n1.FC(F)(F)c1cccc(Br)n1.FC(F)Cn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1.FC(F)Cn1ccc(-c2cccc(C(F)(F)F)n2)n1.[C-]#[N+]c1cnc2ccc(-c3cn(CC(F)F)nc3-c3cccc(C(F)(F)F)n3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12
• InChI: InChI=1S/C19H11F5N6.C14H16BN3O2.C11H7BrF5N3.C11H8F5N3.C9H15BN2O2.C9H6F3N3.C6H3BrF3N.C3H5F3O3S.C2H6/c1-25-17-7-26-16-6-5-11(8-30(16)17)12-9-29(10-15(20)21)28-18(12)13-3-2-4-14(27-13)19(22,23)24;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;12-6-4-20(5-9(13)14)19-10(6)7-2-1-3-8(18-7)11(15,16)17;12-10(13)6-19-5-4-8(18-19)7-2-1-3-9(17-7)11(14,15)16;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;10-9(11,12)8-3-1-2-6(14-8)7-4-5-13-15-7;7-5-3-1-2-4(11-5)6(8,9)10;1-2-9-10(7,8)3(4,5)6;1-2/h2-9,15H,10H2;6-9H,1-4H3;1-4,9H,5H2;1-5,10H,6H2;5-6H,1-4H3,(H,11,12);1-5H,(H,13,15);1-3H;2H2,1H3;1-2H3
• InChIKey: UGAXENKIGMHTEW-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 298.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.13
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 161082131) is 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CCOS(=O)(=O)C(F)(F)F.FC(F)(F)c1cccc(-c2ccn[nH]2)n1.FC(F)(F)c1cccc(Br)n1.FC(F)Cn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1.FC(F)Cn1ccc(-c2cccc(C(F)(F)F)n2)n1.[C-]#[N+]c1cnc2ccc(-c3cn(CC(F)F)nc3-c3cccc(C(F)(F)F)n3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.

What is the InChIKey of 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is UGAXENKIGMHTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N6.C14H16BN3O2.C11H7BrF5N3.C11H8F5N3.C9H15BN2O2.C9H6F3N3.C6H3BrF3N.C3H5F3O3S.C2H6/c1-25-17-7-26-16-6-5-11(8-30(16)17)12-9-29(10-15(20)21)28-18(12)13-3-2-4-14(27-13)19(22,23)24;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;12-6-4-20(5-9(13)14)19-10(6)7-2-1-3-8(18-7)11(15,16)17;12-10(13)6-19-5-4-8(18-19)7-2-1-3-9(17-7)11(14,15)16;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;10-9(11,12)8-3-1-2-6(14-8)7-4-5-13-15-7;7-5-3-1-2-4(11-5)6(8,9)10;1-2-9-10(7,8)3(4,5)6;1-2/h2-9,15H,10H2;6-9H,1-4H3;1-4,9H,5H2;1-5,10H,6H2;5-6H,1-4H3,(H,11,12);1-5H,(H,13,15);1-3H;2H2,1H3;1-2H3.

What are the key properties of 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 2162.13 g/mol, XLogP of 22.46, 15 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-bromo-1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;2-bromo-6-(trifluoromethyl)pyridine;2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-(trifluoromethyl)pyridine;6-[1-(2,2-difluoroethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethane;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 161082131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).