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1142191-85-2 molecular structure
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6-bromo-2-chloro-3-(trimethylsilyl)pyridine

ChemBase ID: 32968
Molecular Formular: C8H11BrClNSi
Molecular Mass: 264.62214
Monoisotopic Mass: 262.95326557
SMILES and InChIs

SMILES:
c1c(nc(c(c1)[Si](C)(C)C)Cl)Br
Canonical SMILES:
Clc1nc(Br)ccc1[Si](C)(C)C
InChI:
InChI=1S/C8H11BrClNSi/c1-12(2,3)6-4-5-7(9)11-8(6)10/h4-5H,1-3H3
InChIKey:
KFYYIXMSPIHUDT-UHFFFAOYSA-N

Cite this record

CBID:32968 http://www.chembase.cn/molecule-32968.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2-chloro-3-(trimethylsilyl)pyridine
IUPAC Traditional name
6-bromo-2-chloro-3-(trimethylsilyl)pyridine
Synonyms
6-Bromo-2-chloro-3-(trimethylsilyl)pyridine
6-Bromo-2-chloro-3-(trimethylsilyl)pyridine
CAS Number
1142191-85-2
MDL Number
MFCD11857715
PubChem SID
160996275
PubChem CID
46736838

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.3973  LogD (pH = 7.4) 4.3973 
Log P 4.3973  Molar Refractivity 54.2958 cm3
Polarizability 22.725248 Å3 Polar Surface Area 12.89 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)
C8H11BrClNSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000578 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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