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1087659-23-1 molecular structure
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5-bromo-3-methoxy-2-[2-(trimethylsilyl)ethynyl]pyridine

ChemBase ID: 32485
Molecular Formular: C11H14BrNOSi
Molecular Mass: 284.22446
Monoisotopic Mass: 283.00280261
SMILES and InChIs

SMILES:
c1(cnc(c(c1)OC)C#C[Si](C)(C)C)Br
Canonical SMILES:
COc1cc(Br)cnc1C#C[Si](C)(C)C
InChI:
InChI=1S/C11H14BrNOSi/c1-14-11-7-9(12)8-13-10(11)5-6-15(2,3)4/h7-8H,1-4H3
InChIKey:
JLHCBUZCMGZUAK-UHFFFAOYSA-N

Cite this record

CBID:32485 http://www.chembase.cn/molecule-32485.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-3-methoxy-2-[2-(trimethylsilyl)ethynyl]pyridine
IUPAC Traditional name
5-bromo-3-methoxy-2-[2-(trimethylsilyl)ethynyl]pyridine
Synonyms
5-Bromo-3-methoxy-2-((trimethylsilyl)ethynyl)-pyridine
5-Bromo-3-methoxy-2-((trimethylsilyl)ethynyl)pyridine
5-Bromo-3-methoxy-2-((trimethylsilyl)ethynyl)pyridine
CAS Number
1087659-23-1
MDL Number
MFCD11857631
PubChem SID
160995792
PubChem CID
45361758

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6719887  LogD (pH = 7.4) 3.6720986 
Log P 3.6721  Molar Refractivity 57.8517 cm3
Polarizability 25.778679 Å3 Polar Surface Area 22.12 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
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C11H14BrNOSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000490 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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