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1015609-27-4 molecular structure
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6-bromo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[3,2-b]pyridine

ChemBase ID: 23847
Molecular Formular: C16H25BrN2Si
Molecular Mass: 353.3726
Monoisotopic Mass: 352.09703734
SMILES and InChIs

SMILES:
c1(cnc2c(c1)n(cc2)[Si](C(C)C)(C(C)C)C(C)C)Br
Canonical SMILES:
Brc1cnc2c(c1)n(cc2)[Si](C(C)C)(C(C)C)C(C)C
InChI:
InChI=1S/C16H25BrN2Si/c1-11(2)20(12(3)4,13(5)6)19-8-7-15-16(19)9-14(17)10-18-15/h7-13H,1-6H3
InChIKey:
RTCMSZSQBFLIEZ-UHFFFAOYSA-N

Cite this record

CBID:23847 http://www.chembase.cn/molecule-23847.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[3,2-b]pyridine
IUPAC Traditional name
6-bromo-1-(triisopropylsilyl)pyrrolo[3,2-b]pyridine
Synonyms
6-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[3,2-b]pyridine
6-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[3,2-b]pyridine
CAS Number
1015609-27-4
MDL Number
MFCD09763674
PubChem SID
160987154
PubChem CID
24229263

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24229263 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.254735  LogD (pH = 7.4) 5.256478 
Log P 5.2565  Molar Refractivity 87.5248 cm3
Polarizability 36.815777 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)
C16H25BrN2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000959 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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