Home > Compound List > Compound details
1034467-33-8 molecular structure
click picture or here to close

4-chloro-3-[2-(trimethylsilyl)ethynyl]pyridine

ChemBase ID: 51622
Molecular Formular: C10H12ClNSi
Molecular Mass: 209.74748
Monoisotopic Mass: 209.0427536
SMILES and InChIs

SMILES:
c1cncc(c1Cl)C#C[Si](C)(C)C
Canonical SMILES:
Clc1ccncc1C#C[Si](C)(C)C
InChI:
InChI=1S/C10H12ClNSi/c1-13(2,3)7-5-9-8-12-6-4-10(9)11/h4,6,8H,1-3H3
InChIKey:
GPODELODEGHSTC-UHFFFAOYSA-N

Cite this record

CBID:51622 http://www.chembase.cn/molecule-51622.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-3-[2-(trimethylsilyl)ethynyl]pyridine
IUPAC Traditional name
4-chloro-3-[2-(trimethylsilyl)ethynyl]pyridine
Synonyms
4-Chloro-3-((trimethylsilyl)ethynyl)pyridine
4-Chloro-3-((trimethylsilyl)ethynyl)pyridine
CAS Number
1034467-33-8
MDL Number
MFCD15530294
PubChem SID
162056385
PubChem CID
46318158

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2492402  LogD (pH = 7.4) 3.2518663 
Log P 3.2519  Molar Refractivity 48.9425 cm3
Polarizability 22.34203 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)
C10H12ClNSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000811 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com
Legal Information
Product of Adesis

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle