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1188988-30-8 molecular structure
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2-(trimethylsilyl)furo[3,2-b]pyridine-6-carbonitrile

ChemBase ID: 50655
Molecular Formular: C11H12N2OSi
Molecular Mass: 216.31128
Monoisotopic Mass: 216.07188955
SMILES and InChIs

SMILES:
c1c(cc2c(n1)cc(o2)[Si](C)(C)C)C#N
Canonical SMILES:
N#Cc1cnc2c(c1)oc(c2)[Si](C)(C)C
InChI:
InChI=1S/C11H12N2OSi/c1-15(2,3)11-5-9-10(14-11)4-8(6-12)7-13-9/h4-5,7H,1-3H3
InChIKey:
HZYGQYDQNDEJAV-UHFFFAOYSA-N

Cite this record

CBID:50655 http://www.chembase.cn/molecule-50655.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(trimethylsilyl)furo[3,2-b]pyridine-6-carbonitrile
IUPAC Traditional name
2-(trimethylsilyl)furo[3,2-b]pyridine-6-carbonitrile
Synonyms
2-(Trimethylsilyl)furo[3,2-b]pyridine-6-carbonitrile
2-(Trimethylsilyl)furo[3,2-b]pyridine-6-carbonitrile
CAS Number
1188988-30-8
MDL Number
MFCD13176656
PubChem SID
162055418
PubChem CID
46737950

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46737950 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7548997  LogD (pH = 7.4) 2.7549 
Log P 2.7549  Molar Refractivity 53.4087 cm3
Polarizability 24.109602 Å3 Polar Surface Area 49.82 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
Empirical Formula (Hill Notation)
C11H12N2OSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE001194 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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INTERNET

INTERNET

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