Home > Compound List > Compound details
1228666-31-6 molecular structure
click picture or here to close

1-[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]ethan-1-one

ChemBase ID: 51685
Molecular Formular: C12H15NO2Si
Molecular Mass: 233.3385
Monoisotopic Mass: 233.08720526
SMILES and InChIs

SMILES:
c1(cnc2c(c1)oc(c2)[Si](C)(C)C)C(=O)C
Canonical SMILES:
CC(=O)c1cnc2c(c1)oc(c2)[Si](C)(C)C
InChI:
InChI=1S/C12H15NO2Si/c1-8(14)9-5-11-10(13-7-9)6-12(15-11)16(2,3)4/h5-7H,1-4H3
InChIKey:
PQSVBIPUESNCDX-UHFFFAOYSA-N

Cite this record

CBID:51685 http://www.chembase.cn/molecule-51685.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]ethan-1-one
IUPAC Traditional name
1-[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]ethanone
Synonyms
1-(2-(Trimethylsilyl)furo[3,2-b]pyridin-6-yl)ethanone
1-(2-(Trimethylsilyl)furo[3,2-b]pyridin-6-yl)-ethanone
1-(2-(Trimethylsilyl)furo[3,2-b]pyridin-6-yl)ethanone
CAS Number
1228666-31-6
MDL Number
MFCD16628266
PubChem SID
162056448
PubChem CID
49761649

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 49761649 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.430381  H Acceptors
H Donor LogD (pH = 5.5) 2.2483103 
LogD (pH = 7.4) 2.2483988  Log P 2.2484 
Molar Refractivity 58.0899 cm3 Polarizability 26.012897 Å3
Polar Surface Area 43.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C12H15NO2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE001200 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