2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C23H42B2BrNO5Si — CID 159917531

IUPAC2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[Si](C)(C)O[13C]([13CH3])([13CH3])c1ccc(Br)cn1
InChIInChI=1S/C12H24B2O4.C11H18BrNOSi/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/i;1+1,2+1,11+1
InChIKeyNXYYZXQLOMDIMZ-ZOSHNGDLSA-N
MW545.18 g/mol
LogP6.18
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;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)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159917531) has the molecular formula C23H42B2BrNO5Si and a molecular weight of 545.18 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159917531
Molecular FormulaC23H42B2BrNO5Si
Molecular Weight545.18 g/mol
Exact Mass544.23
IUPAC Name2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[Si](C)(C)O[13C]([13CH3])([13CH3])c1ccc(Br)cn1
InChIInChI=1S/C12H24B2O4.C11H18BrNOSi/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/i;1+1,2+1,11+1
InChIKeyNXYYZXQLOMDIMZ-ZOSHNGDLSA-N
XLogP6.18
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.18
LogP ≤ 56.18
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)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;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)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;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)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159917531) is 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;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)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;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)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[Si](C)(C)O[13C]([13CH3])([13CH3])c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is NXYYZXQLOMDIMZ-ZOSHNGDLSA-N. The full InChI is InChI=1S/C12H24B2O4.C11H18BrNOSi/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/i;1+1,2+1,11+1.
What are the key properties of 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;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)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;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 545.18 g/mol, XLogP of 6.18, 4 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)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;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 159917531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).