2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

C14H18BrF3N4OSi — CID 123535351

IUPAC2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccc(Br)cn2)nc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N4OSi/c1-24(2,3)7-6-23-9-22-13(14(16,17)18)20-12(21-22)11-5-4-10(15)8-19-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyJAXUPFKBFLZIBD-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.43
Rot. Bonds6

About 2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 123535351) has the molecular formula C14H18BrF3N4OSi and a molecular weight of 423.31 g/mol. Its IUPAC name is 2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID123535351
Molecular FormulaC14H18BrF3N4OSi
Molecular Weight423.31 g/mol
Exact Mass422.04
IUPAC Name2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccc(Br)cn2)nc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N4OSi/c1-24(2,3)7-6-23-9-22-13(14(16,17)18)20-12(21-22)11-5-4-10(15)8-19-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyJAXUPFKBFLZIBD-UHFFFAOYSA-N
XLogP4.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-[4-(trifluoromethyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-imidazol-2-yl]pyridine
CID 86698175
5-bromo-2-(4-methyl-4H-1,2,4-triazol-3-yl)pyridine
CID 115395371
triethyl-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4-pyridinyl]silane
CID 59729608
1-Methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium
CID 59757553
5-bromo-2-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl]pyridine
CID 67973139
5-bromo-3-chloro-2-[4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazol-2-yl]pyridine
CID 67973604
2,6-bis(trifluoromethyl)-4-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-1,2,4-triazol-3-yl)pyridine
CID 89401935
2-[2-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine
CID 89472448
2-[[2-(6-Bromopyridin-3-yl)-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 89831328
2-[[2-(5-Bromo-3-methylpyridin-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 89831340
2-[[2-(6-Bromopyridin-3-yl)-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 89831372
2-[[2-(5-Bromo-3-fluoropyridin-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 89831417

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (CID 123535351) is 2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cn2)nc1C(F)(F)F.
What is the InChIKey of 2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JAXUPFKBFLZIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N4OSi/c1-24(2,3)7-6-23-9-22-13(14(16,17)18)20-12(21-22)11-5-4-10(15)8-19-11/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 423.31 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123535351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).