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1228666-08-7 molecular structure
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5-fluoro-4-[2-(trimethylsilyl)ethynyl]-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine

ChemBase ID: 51664
Molecular Formular: C21H33FN2Si2
Molecular Mass: 388.6695232
Monoisotopic Mass: 388.21663035
SMILES and InChIs

SMILES:
c1(cnc2c(c1C#C[Si](C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C)F
Canonical SMILES:
Fc1cnc2c(c1C#C[Si](C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C
InChI:
InChI=1S/C21H33FN2Si2/c1-15(2)26(16(3)4,17(5)6)24-12-10-19-18(11-13-25(7,8)9)20(22)14-23-21(19)24/h10,12,14-17H,1-9H3
InChIKey:
DQSQFVRJMSFYEU-UHFFFAOYSA-N

Cite this record

CBID:51664 http://www.chembase.cn/molecule-51664.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-4-[2-(trimethylsilyl)ethynyl]-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
IUPAC Traditional name
5-fluoro-1-(triisopropylsilyl)-4-[2-(trimethylsilyl)ethynyl]pyrrolo[2,3-b]pyridine
Synonyms
5-Fluoro-1-(triisopropylsilyl)-4-((trimethylsilyl)ethynyl)-1H-pyrrolo[2,3-b]pyridine
5-Fluoro-1-(triisopropylsilyl)-4-((trimethylsilyl) ethynyl)-1H-pyrrolo[2,3-b]pyridine
5-Fluoro-1-(triisopropylsilyl)-4-((trimethylsilyl)ethynyl)-1H-pyrrolo[2,3-b]pyridine
CAS Number
1228666-08-7
MDL Number
MFCD16628249
PubChem SID
162056427
PubChem CID
49761618

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 49761618 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.634122  LogD (pH = 7.4) 6.634199 
Log P 6.6342  Molar Refractivity 100.6796 cm3
Polarizability 44.173187 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)
C21H33FN2Si2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE001056 external link
Other Notes
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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