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222167-81-9 molecular structure
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4-[2-(trimethylsilyl)ethynyl]pyridine-3-carbaldehyde

ChemBase ID: 814000
Molecular Formular: C11H13NOSi
Molecular Mass: 203.31252
Monoisotopic Mass: 203.07664057
SMILES and InChIs

SMILES:
c1(c(cncc1)C=O)C#C[Si](C)(C)C
Canonical SMILES:
O=Cc1cnccc1C#C[Si](C)(C)C
InChI:
InChI=1S/C11H13NOSi/c1-14(2,3)7-5-10-4-6-12-8-11(10)9-13/h4,6,8-9H,1-3H3
InChIKey:
LMGZKECVVFRLQY-UHFFFAOYSA-N

Cite this record

CBID:814000 http://www.chembase.cn/molecule-814000.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(trimethylsilyl)ethynyl]pyridine-3-carbaldehyde
IUPAC Traditional name
4-[2-(trimethylsilyl)ethynyl]pyridine-3-carbaldehyde
Synonyms
4-((trimethylsilyl)ethynyl)nicotinaldehyde
CAS Number
222167-81-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36125 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36125 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4004982  LogD (pH = 7.4) 2.4092865 
Log P 2.4094  Molar Refractivity 50.7217 cm3
Polarizability 22.356411 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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