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913983-25-2 molecular structure
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3-iodo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine

ChemBase ID: 23800
Molecular Formular: C16H25IN2Si
Molecular Mass: 400.37307
Monoisotopic Mass: 400.08317334
SMILES and InChIs

SMILES:
c12c(cccn1)c(cn2[Si](C(C)C)(C(C)C)C(C)C)I
Canonical SMILES:
CC([Si](n1cc(c2c1nccc2)I)(C(C)C)C(C)C)C
InChI:
InChI=1S/C16H25IN2Si/c1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19/h7-13H,1-6H3
InChIKey:
GIAAQPVLWIAXJP-UHFFFAOYSA-N

Cite this record

CBID:23800 http://www.chembase.cn/molecule-23800.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-iodo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
IUPAC Traditional name
3-iodo-1-(triisopropylsilyl)pyrrolo[2,3-b]pyridine
Synonyms
3-Iodo-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine
3-Iodo-1-triisopropylsilanyl-1H-pyrrolo-[2,3-b]pyridine
3-Iodo-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine 3-Iodo-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine
CAS Number
913983-25-2
MDL Number
MFCD08741525
PubChem SID
160987107
PubChem CID
24229227

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24229227 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.475177  LogD (pH = 7.4) 5.4859605 
Log P 5.4861  Molar Refractivity 93.5891 cm3
Polarizability 38.450577 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)
C16H25IN2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000908 external link
Other Notes
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Legal Information
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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