2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C102H132BBr2F16N15O15Si4 — CID 158476908

About 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 158476908) has the molecular formula C102H132BBr2F16N15O15Si4 and a molecular weight of 2395.20 g/mol. Its IUPAC name is 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 158476908
• Molecular Formula: C102H132BBr2F16N15O15Si4
• Molecular Weight: 2395.20 g/mol
• Exact Mass: 2391.73
• IUPAC Name: 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cc2F)nc1C(F)(F)F.C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1ccc(Br)cc1F.Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)c(F)c1.Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)c(F)c1.Cc1cc(OCC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/2C26H34F4N4O2Si.C17H28BNO3.2C15H18BrF4N3OSi.3CO2/c1-17-12-22(36-15-25(2,3)4)31-14-20(17)18-8-9-19(21(27)13-18)23-32-24(26(28,29)30)33-34(23)16-35-10-11-37(5,6)7;1-17-12-22(36-15-25(2,3)4)31-14-20(17)18-8-9-19(21(27)13-18)23-32-24(26(28,29)30)34(33-23)16-35-10-11-37(5,6)7;1-12-9-14(20-11-15(2,3)4)19-10-13(12)18-21-16(5,6)17(7,8)22-18;1-25(2,3)7-6-24-9-23-13(21-14(22-23)15(18,19)20)11-5-4-10(16)8-12(11)17;1-25(2,3)7-6-24-9-23-14(15(18,19)20)21-13(22-23)11-5-4-10(16)8-12(11)17;3*2-1-3/h2*8-9,12-14H,10-11,15-16H2,1-7H3;9-10H,11H2,1-8H3;2*4-5,8H,6-7,9H2,1-3H3
• InChIKey: HHBAGFVEUOEQOK-UHFFFAOYSA-N
• XLogP: 26.14
• TPSA: 347.00 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.20
LogP ≤ 5	26.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 158476908) is 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cc2F)nc1C(F)(F)F.C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1ccc(Br)cc1F.Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)c(F)c1.Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)c(F)c1.Cc1cc(OCC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1.O=C=O.O=C=O.O=C=O.

What is the InChIKey of 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is HHBAGFVEUOEQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H34F4N4O2Si.C17H28BNO3.2C15H18BrF4N3OSi.3CO2/c1-17-12-22(36-15-25(2,3)4)31-14-20(17)18-8-9-19(21(27)13-18)23-32-24(26(28,29)30)33-34(23)16-35-10-11-37(5,6)7;1-17-12-22(36-15-25(2,3)4)31-14-20(17)18-8-9-19(21(27)13-18)23-32-24(26(28,29)30)34(33-23)16-35-10-11-37(5,6)7;1-12-9-14(20-11-15(2,3)4)19-10-13(12)18-21-16(5,6)17(7,8)22-18;1-25(2,3)7-6-24-9-23-13(21-14(22-23)15(18,19)20)11-5-4-10(16)8-12(11)17;1-25(2,3)7-6-24-9-23-14(15(18,19)20)21-13(22-23)11-5-4-10(16)8-12(11)17;3*2-1-3/h2*8-9,12-14H,10-11,15-16H2,1-7H3;9-10H,11H2,1-8H3;2*4-5,8H,6-7,9H2,1-3H3;;;.

What are the key properties of 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 2395.20 g/mol, XLogP of 26.14, 33 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(4-bromo-2-fluorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromo-2-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;tris(carbon dioxide);2-[[3-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]-2-fluorophenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(2,2-dimethylpropoxy)-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 158476908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).