[6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid

C12H22BNO3Si — CID 142382242

IUPAC[6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid
SMILESCC(C)(Cc1ccc(B(O)O)cn1)O[Si](C)(C)C
InChIInChI=1S/C12H22BNO3Si/c1-12(2,17-18(3,4)5)8-11-7-6-10(9-14-11)13(15)16/h6-7,9,15-16H,8H2,1-5H3
InChIKeyVNZIGXJNFRTDNL-UHFFFAOYSA-N
MW267.21 g/mol
LogP0.93
Rot. Bonds5

About [6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid

[6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid (PubChem CID 142382242) has the molecular formula C12H22BNO3Si and a molecular weight of 267.21 g/mol. Its IUPAC name is [6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid
PubChem CID142382242
Molecular FormulaC12H22BNO3Si
Molecular Weight267.21 g/mol
Exact Mass267.15
IUPAC Name[6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid
SMILESCC(C)(Cc1ccc(B(O)O)cn1)O[Si](C)(C)C
InChIInChI=1S/C12H22BNO3Si/c1-12(2,17-18(3,4)5)8-11-7-6-10(9-14-11)13(15)16/h6-7,9,15-16H,8H2,1-5H3
InChIKeyVNZIGXJNFRTDNL-UHFFFAOYSA-N
XLogP0.93
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-2-pyridineethanol
CID 78894
2-(2-Pyridyl)propane-1,3-diol
CID 365651
2-Methyl-2-(pyridin-2-yl)propan-1-ol
CID 13952004
2-Methyl-1,3-di(2-pyridinyl)-2-propanol
CID 238451
4-Piperidinol, 1-butyl-4-(2-pyridyl)methyl-, dihydrochloride
CID 3048600
2-(5-Methylpyridin-2-yl)ethan-1-ol
CID 14546495
2-(Pyridin-2-yl)propan-1-ol
CID 15392785
2-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 45786490
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-{2-[(trimethylsilyl)oxy]propan-2-yl}pyridine
CID 53398358
2-Isopropylpyridine-3-boronic acid pinacol ester
CID 72219182
[6-(Propan-2-yl)pyridin-3-yl]boronic acid
CID 75132240
[2-(Propan-2-yl)pyridin-3-yl]boronic acid
CID 124704760

Frequently Asked Questions

What is the IUPAC name of [6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid (CID 142382242) is [6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid is CC(C)(Cc1ccc(B(O)O)cn1)O[Si](C)(C)C.
What is the InChIKey of [6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid?
The InChIKey is VNZIGXJNFRTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BNO3Si/c1-12(2,17-18(3,4)5)8-11-7-6-10(9-14-11)13(15)16/h6-7,9,15-16H,8H2,1-5H3.
What are the key properties of [6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid?
[6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid has a molecular weight of 267.21 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methyl-2-trimethylsilyloxypropyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 142382242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).