Home > Compound List > Compound details
875639-49-9 molecular structure
click picture or here to close

5-bromo-3-iodo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine

ChemBase ID: 23805
Molecular Formular: C16H24BrIN2Si
Molecular Mass: 479.26913
Monoisotopic Mass: 477.99368531
SMILES and InChIs

SMILES:
c1(cnc2c(c1)c(cn2[Si](C(C)C)(C(C)C)C(C)C)I)Br
Canonical SMILES:
Brc1cnc2c(c1)c(I)cn2[Si](C(C)C)(C(C)C)C(C)C
InChI:
InChI=1S/C16H24BrIN2Si/c1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20/h7-12H,1-6H3
InChIKey:
HLOOLAJLGYWXQW-UHFFFAOYSA-N

Cite this record

CBID:23805 http://www.chembase.cn/molecule-23805.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-3-iodo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
IUPAC Traditional name
5-bromo-3-iodo-1-(triisopropylsilyl)pyrrolo[2,3-b]pyridine
Synonyms
5-Bromo-3-iodo-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine
5-Bromo-3-iodo-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine
CAS Number
875639-49-9
MDL Number
MFCD08741530
PubChem SID
160987112
PubChem CID
24229231

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24229231 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.277743  LogD (pH = 7.4) 6.277898 
Log P 6.2779  Molar Refractivity 101.2119 cm3
Polarizability 41.341984 Å3 Polar Surface Area 17.82 Å2
Rotatable Bonds Lipinski's Rule of Five false 

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)
C16H24BrIN2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000913 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