[2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C24H46B2BrNO5Si — CID 159656223

IUPAC[2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.[2H]C([2H])([2H])C(C)(O[Si](C)(C)C)c1ccc(Br)cn1
InChIInChI=1S/C12H24B2O4.C11H18BrNOSi.CH4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,14-15(3,4)5)10-7-6-9(12)8-13-10;/h1-8H3;6-8H,1-5H3;1H4/i;1D3;
InChIKeyMSFFVDVXUXCYKY-ICMJTWPQSA-N
MW561.27 g/mol
LogP6.82
Rot. Bonds5

About [2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

[2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159656223) has the molecular formula C24H46B2BrNO5Si and a molecular weight of 561.27 g/mol. Its IUPAC name is [2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name[2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159656223
Molecular FormulaC24H46B2BrNO5Si
Molecular Weight561.27 g/mol
Exact Mass560.27
IUPAC Name[2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.[2H]C([2H])([2H])C(C)(O[Si](C)(C)C)c1ccc(Br)cn1
InChIInChI=1S/C12H24B2O4.C11H18BrNOSi.CH4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,14-15(3,4)5)10-7-6-9(12)8-13-10;/h1-8H3;6-8H,1-5H3;1H4/i;1D3;
InChIKeyMSFFVDVXUXCYKY-ICMJTWPQSA-N
XLogP6.82
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.27
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-{2-[(trimethylsilyl)oxy]propan-2-yl}pyridine
CID 53398358
[1-(5-Bromo-2-pyridinyl)-3,3-difluorocyclobutyl]oxy-tert-butyl-dimethylsilane
CID 155595310
[2-(4-Bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane
CID 171478622
5-Bromo-4-fluoro-2-[4,5,5-trimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-4-yl]pyridine
CID 173782788
[(1R)-1-(5-bromo-2-pyridinyl)ethoxy]-tert-butyl-dimethylsilane
CID 162418867
5-Bromo-2-({[t-butyl(dimethyl)silyl]oxy}methyl)pyridine
CID 11659454
2-((Tert-butyldimethylsilyloxy)methyl) pyridine-4-boronic acid pinacol ester
CID 49760406
6-(2-((tert-Butyldimethylsilyl)oxy)propan-2-yl)pyridine-3-boronic acid pinacol ester
CID 59526189
5-Bromo-2-(1-{[tert-butyl(dimethyl)silyl]oxy}-1-methylethyl)pyridine
CID 59526374
CID 66707141
CID 66707141
CID 66707390
CID 66707390
(2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol
CID 69166037

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of [2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159656223) is [2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for [2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for [2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.[2H]C([2H])([2H])C(C)(O[Si](C)(C)C)c1ccc(Br)cn1.
What is the InChIKey of [2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is MSFFVDVXUXCYKY-ICMJTWPQSA-N. The full InChI is InChI=1S/C12H24B2O4.C11H18BrNOSi.CH4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,14-15(3,4)5)10-7-6-9(12)8-13-10;/h1-8H3;6-8H,1-5H3;1H4/i;1D3;.
What are the key properties of [2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
[2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 561.27 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-pyridinyl)-1,1,1-trideuteriopropan-2-yl]oxy-trimethylsilane;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159656223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).