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1203499-06-2 molecular structure
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1-({6-bromofuro[3,2-b]pyridin-2-yl}methyl)-3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidine

ChemBase ID: 50653
Molecular Formular: C19H29BrN2O2Si
Molecular Mass: 425.43526
Monoisotopic Mass: 424.11816671
SMILES and InChIs

SMILES:
c1(cnc2c(c1)oc(c2)CN1CC(CC1)CO[Si](C(C)(C)C)(C)C)Br
Canonical SMILES:
Brc1cnc2c(c1)oc(c2)CN1CCC(C1)CO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C19H29BrN2O2Si/c1-19(2,3)25(4,5)23-13-14-6-7-22(11-14)12-16-9-17-18(24-16)8-15(20)10-21-17/h8-10,14H,6-7,11-13H2,1-5H3
InChIKey:
ISUUPZMZHJRJOL-UHFFFAOYSA-N

Cite this record

CBID:50653 http://www.chembase.cn/molecule-50653.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-({6-bromofuro[3,2-b]pyridin-2-yl}methyl)-3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidine
IUPAC Traditional name
1-({6-bromofuro[3,2-b]pyridin-2-yl}methyl)-3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidine
Synonyms
6-Bromo-2-((3-((tert-butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)methyl)furo[3,2-b]pyridine
6-Bromo-2-((3-((tert-butyldimethylsilyloxy)methyl) pyrrolidin-1-yl)methyl)furo[3,2-b]pyridine
6-Bromo-2-((3-((tert-butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)methyl)furo[3,2-b]pyridine
CAS Number
1203499-06-2
MDL Number
MFCD13563101
PubChem SID
162055416
PubChem CID
46318203

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46318203 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0975907  LogD (pH = 7.4) 2.904163 
Log P 4.0451  Molar Refractivity 102.1038 cm3
Polarizability 43.031216 Å3 Polar Surface Area 38.5 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)
C19H29BrN2O2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE001186 external link
Other Notes
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REFERENCES

REFERENCES

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PATENTS

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