2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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

C102H136BBr2F12N15O15Si4 — CID 159357812

About 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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 159357812) has the molecular formula C102H136BBr2F12N15O15Si4 and a molecular weight of 2323.24 g/mol. Its IUPAC name is 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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: 159357812
• Molecular Formula: C102H136BBr2F12N15O15Si4
• Molecular Weight: 2323.24 g/mol
• Exact Mass: 2319.77
• IUPAC Name: 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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)cc2)nc1C(F)(F)F.C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1ccc(Br)cc1.Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)cc1.Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)cc1.Cc1cc(OCC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/2C26H35F3N4O2Si.C17H28BNO3.2C15H19BrF3N3OSi.3CO2/c1-18-14-22(35-16-25(2,3)4)30-15-21(18)19-8-10-20(11-9-19)23-31-24(26(27,28)29)32-33(23)17-34-12-13-36(5,6)7;1-18-14-22(35-16-25(2,3)4)30-15-21(18)19-8-10-20(11-9-19)23-31-24(26(27,28)29)33(32-23)17-34-12-13-36(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;1-24(2,3)9-8-23-10-22-13(11-4-6-12(16)7-5-11)20-14(21-22)15(17,18)19;1-24(2,3)9-8-23-10-22-14(15(17,18)19)20-13(21-22)11-4-6-12(16)7-5-11;3*2-1-3/h2*8-11,14-15H,12-13,16-17H2,1-7H3;9-10H,11H2,1-8H3;2*4-7H,8-10H2,1-3H3
• InChIKey: LIDMEJYPDYXHPD-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 347.00 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2323.24
LogP ≤ 5	25.58
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-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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 159357812) is 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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)cc2)nc1C(F)(F)F.C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1ccc(Br)cc1.Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)cc1.Cc1cc(OCC(C)(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)cc1.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-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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 LIDMEJYPDYXHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H35F3N4O2Si.C17H28BNO3.2C15H19BrF3N3OSi.3CO2/c1-18-14-22(35-16-25(2,3)4)30-15-21(18)19-8-10-20(11-9-19)23-31-24(26(27,28)29)32-33(23)17-34-12-13-36(5,6)7;1-18-14-22(35-16-25(2,3)4)30-15-21(18)19-8-10-20(11-9-19)23-31-24(26(27,28)29)33(32-23)17-34-12-13-36(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;1-24(2,3)9-8-23-10-22-13(11-4-6-12(16)7-5-11)20-14(21-22)15(17,18)19;1-24(2,3)9-8-23-10-22-14(15(17,18)19)20-13(21-22)11-4-6-12(16)7-5-11;3*2-1-3/h2*8-11,14-15H,12-13,16-17H2,1-7H3;9-10H,11H2,1-8H3;2*4-7H,8-10H2,1-3H3;;;.

What are the key properties of 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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 2323.24 g/mol, XLogP of 25.58, 33 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(4-bromophenyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(4-bromophenyl)-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]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[6-(2,2-dimethylpropoxy)-4-methyl-3-pyridinyl]phenyl]-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 159357812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).