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470463-35-5 molecular structure
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2-chloro-3-[2-(trimethylsilyl)ethynyl]pyridine

ChemBase ID: 23695
Molecular Formular: C10H12ClNSi
Molecular Mass: 209.74748
Monoisotopic Mass: 209.0427536
SMILES and InChIs

SMILES:
c1cnc(c(c1)C#C[Si](C)(C)C)Cl
Canonical SMILES:
Clc1ncccc1C#C[Si](C)(C)C
InChI:
InChI=1S/C10H12ClNSi/c1-13(2,3)8-6-9-5-4-7-12-10(9)11/h4-5,7H,1-3H3
InChIKey:
SBSZJRBQSBKNGE-UHFFFAOYSA-N

Cite this record

CBID:23695 http://www.chembase.cn/molecule-23695.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-[2-(trimethylsilyl)ethynyl]pyridine
IUPAC Traditional name
2-chloro-3-[2-(trimethylsilyl)ethynyl]pyridine
Synonyms
2-Chloro-3-trimethylsilanylethynyl-pyridine
2-Chloro-3-trimethylsilanylethynyl-pyridine
CAS Number
470463-35-5
MDL Number
MFCD04039859
PubChem SID
160987002
PubChem CID
17998778

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.622596  LogD (pH = 7.4) 3.6225998 
Log P 3.6226  Molar Refractivity 50.0038 cm3
Polarizability 22.401062 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
98% expand Show data source
Empirical Formula (Hill Notation)
C10H12ClNSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000240 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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