Home > Compound List > Compound details
163105-90-6 molecular structure
click picture or here to close

2-methoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

ChemBase ID: 16267
Molecular Formular: C12H18BNO3
Molecular Mass: 235.08722
Monoisotopic Mass: 235.13797384
SMILES and InChIs

SMILES:
n1c(c(ccc1)B1OC(C(O1)(C)C)(C)C)OC
Canonical SMILES:
COc1ncccc1B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-14-10(9)15-5/h6-8H,1-5H3
InChIKey:
JEJYNUCGRAHMDO-UHFFFAOYSA-N

Cite this record

CBID:16267 http://www.chembase.cn/molecule-16267.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Traditional name
2-methoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Synonyms
2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine
2-Methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-Methoxypyridine-3-boronic acid pinacol ester
2-METHOXYPYRIDINE-3-BORONIC ACID PINACOL ESTER
2-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine
2-甲氧基吡啶-3-硼酸频哪醇酯
CAS Number
163105-90-6
532391-31-4
MDL Number
MFCD05663507
PubChem SID
160979574
PubChem CID
17750166

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0342937  LogD (pH = 7.4) 3.0343986 
Log P 3.0344  Molar Refractivity 60.3329 cm3
Polarizability 25.62602 Å3 Polar Surface Area 40.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
59.8-60.7°C expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C12H18BNO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000262 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com
Legal Information
Product of Adesis

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle