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Molecule
ID:71298
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₂H₂₀N₂Si₂
Molecular Mass
248.4716
Exact Mass
248.11650171
Charge
0
InChI
InChI=1S/C12H20N2Si2/c1-15(2,3)11-8-14-9-12(10(11)7-13)16(4,5)6/h8-9H,1-6H3
InChIKey
OACKXRICLZHJSJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cncc1[Si](C)(C)C)[Si](C)(C)C
Isomeric Smiles
c1(c([Si](C)(C)C)cncc1[Si](C)(C)C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7188897
LogD (pH = 7.4)
3.7189
Log P
3.7189
Molar Refractivity
61.7499
Polarizability
28.175556
Polar Surface Area
36.68
Rotatable Bonds
2
Lipinski's Rule of Five
true
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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IUPAC name
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IUPAC Traditional name
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PubChem SID
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Related Proteins
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From Data Sources
Bioactivity
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Data Source
Commercial Catalog
Key Organics
BS-2105
Matrix Scientific
076899
Academic Data
PubChem
12180886
Names and Identifiers
Synonyms
4-Cyano-3,5-(ditrimethylsilyl)pyridine
IUPAC name
3,5-bis(trimethylsilyl)pyridine-4-carbonitrile
IUPAC Traditional name
3,5-bis(trimethylsilyl)pyridine-4-carbonitrile
Registration numbers
MDL Number
MFCD09701446
CAS Number
827616-49-9
PubChem SID
162036888
PubChem CID
12180886
Properties
Safety Information
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Source
Storage Warning
IRRITANT
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay