2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine

C83H72BBrCl2F15IN24O3 — CID 161059108

About 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine

2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine (PubChem CID 161059108) has the molecular formula C83H72BBrCl2F15IN24O3 and a molecular weight of 2027.15 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine
• PubChem CID: 161059108
• Molecular Formula: C83H72BBrCl2F15IN24O3
• Molecular Weight: 2027.15 g/mol
• Exact Mass: 2024.37
• IUPAC Name: 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine
• SMILES: C.CC(Cl)Cl.CI.Cn1cc(-c2ccc3ncc(NC=O)n3c2)c(-c2cccc(C(F)(F)F)n2)n1.Cn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1.Cn1ccc(-c2cccc(C(F)(F)F)n2)n1.FC(F)(F)c1cccc(-c2ccn[nH]2)n1.[C-]#[N+]c1cnc2ccc(-c3cn(C)nc3-c3cccc(C(F)(F)F)n3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12
• InChI: InChI=1S/C18H13F3N6O.C18H11F3N6.C14H16BN3O2.C10H7BrF3N3.C10H8F3N3.C9H6F3N3.C2H4Cl2.CH3I.CH4/c1-26-9-12(11-5-6-15-22-7-16(23-10-28)27(15)8-11)17(25-26)13-3-2-4-14(24-13)18(19,20)21;1-22-16-8-23-15-7-6-11(9-27(15)16)12-10-26(2)25-17(12)13-4-3-5-14(24-13)18(19,20)21;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-17-5-6(11)9(16-17)7-3-2-4-8(15-7)10(12,13)14;1-16-6-5-8(15-16)7-3-2-4-9(14-7)10(11,12)13;10-9(11,12)8-3-1-2-6(14-8)7-4-5-13-15-7;1-2(3)4;1-2;/h2-10H,1H3,(H,23,28);3-10H,2H3;6-9H,1-4H3;2-5H,1H3;2-6H,1H3;1-5H,(H,13,15);2H,1H3;1H3;1H4
• InChIKey: UDDTVOLKSOTNQN-UHFFFAOYSA-N
• XLogP: 21.69
• TPSA: 272.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2027.15
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine?

The IUPAC name of 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine (CID 161059108) is 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine?

The canonical SMILES for 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine is C.CC(Cl)Cl.CI.Cn1cc(-c2ccc3ncc(NC=O)n3c2)c(-c2cccc(C(F)(F)F)n2)n1.Cn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1.Cn1ccc(-c2cccc(C(F)(F)F)n2)n1.FC(F)(F)c1cccc(-c2ccn[nH]2)n1.[C-]#[N+]c1cnc2ccc(-c3cn(C)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-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine?

The InChIKey is UDDTVOLKSOTNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O.C18H11F3N6.C14H16BN3O2.C10H7BrF3N3.C10H8F3N3.C9H6F3N3.C2H4Cl2.CH3I.CH4/c1-26-9-12(11-5-6-15-22-7-16(23-10-28)27(15)8-11)17(25-26)13-3-2-4-14(24-13)18(19,20)21;1-22-16-8-23-15-7-6-11(9-27(15)16)12-10-26(2)25-17(12)13-4-3-5-14(24-13)18(19,20)21;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-17-5-6(11)9(16-17)7-3-2-4-8(15-7)10(12,13)14;1-16-6-5-8(15-16)7-3-2-4-9(14-7)10(11,12)13;10-9(11,12)8-3-1-2-6(14-8)7-4-5-13-15-7;1-2(3)4;1-2;/h2-10H,1H3,(H,23,28);3-10H,2H3;6-9H,1-4H3;2-5H,1H3;2-6H,1H3;1-5H,(H,13,15);2H,1H3;1H3;1H4.

What are the key properties of 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine?

2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine has a molecular weight of 2027.15 g/mol, XLogP of 21.69, 10 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;1,1-dichloroethane;iodomethane;3-isocyano-6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;2-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridine;N-[6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;2-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 161059108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).