[1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane

C14H21BrF3NOSi — CID 71115027

IUPAC[1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane
SMILESCc1cc(C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)ncc1Br
InChIInChI=1S/C14H21BrF3NOSi/c1-9-7-11(19-8-10(9)15)12(14(16,17)18)20-21(5,6)13(2,3)4/h7-8,12H,1-6H3
InChIKeyBVCFTHLEPJRMAP-UHFFFAOYSA-N
MW384.31 g/mol
LogP5.78
Rot. Bonds3

About [1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane

[1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane (PubChem CID 71115027) has the molecular formula C14H21BrF3NOSi and a molecular weight of 384.31 g/mol. Its IUPAC name is [1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane
PubChem CID71115027
Molecular FormulaC14H21BrF3NOSi
Molecular Weight384.31 g/mol
Exact Mass383.05
IUPAC Name[1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane
SMILESCc1cc(C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)ncc1Br
InChIInChI=1S/C14H21BrF3NOSi/c1-9-7-11(19-8-10(9)15)12(14(16,17)18)20-21(5,6)13(2,3)4/h7-8,12H,1-6H3
InChIKeyBVCFTHLEPJRMAP-UHFFFAOYSA-N
XLogP5.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.31
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane (CID 71115027) is [1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane is Cc1cc(C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)ncc1Br.
What is the InChIKey of [1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane?
The InChIKey is BVCFTHLEPJRMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrF3NOSi/c1-9-7-11(19-8-10(9)15)12(14(16,17)18)20-21(5,6)13(2,3)4/h7-8,12H,1-6H3.
What are the key properties of [1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane?
[1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane has a molecular weight of 384.31 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-methyl-2-pyridinyl)-2,2,2-trifluoroethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 71115027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).