[2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane

C23H26BrNOSi — CID 174605856

IUPAC[2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccnc1CCBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26BrNOSi/c1-23(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)26-22-15-10-18-25-21(22)16-17-24/h4-15,18H,16-17H2,1-3H3
InChIKeyMGAYGQCJYGTLRD-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.96
Rot. Bonds6

About [2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane

[2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane (PubChem CID 174605856) has the molecular formula C23H26BrNOSi and a molecular weight of 440.46 g/mol. Its IUPAC name is [2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane
PubChem CID174605856
Molecular FormulaC23H26BrNOSi
Molecular Weight440.46 g/mol
Exact Mass439.10
IUPAC Name[2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccnc1CCBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26BrNOSi/c1-23(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)26-22-15-10-18-25-21(22)16-17-24/h4-15,18H,16-17H2,1-3H3
InChIKeyMGAYGQCJYGTLRD-UHFFFAOYSA-N
XLogP4.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
tert-butyl 3-(bromomethyl)-4-[tert-butyl(diphenyl)silyl]oxyindazole-1-carboxylate
CID 139994627
tert-butyl-(2-nitrophenoxy)-diphenylsilane
CID 91423635
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
3-[tert-butyl(diphenyl)silyl]oxy-2-pyrimidin-2-ylpropane-1-thiol
CID 170983923
bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane
CID 91177193
2-[4-[tert-butyl(diphenyl)silyl]oxyphenoxy]ethanol
CID 10916195
ethyl 4-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-pyridinyl]oxy]but-2-enoate
CID 68635048
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane (CID 174605856) is [2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](Oc1cccnc1CCBr)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane?
The InChIKey is MGAYGQCJYGTLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrNOSi/c1-23(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)26-22-15-10-18-25-21(22)16-17-24/h4-15,18H,16-17H2,1-3H3.
What are the key properties of [2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane?
[2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane has a molecular weight of 440.46 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 174605856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).