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92486-38-9 molecular structure
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4-ethylpyridine-2-carbonitrile

ChemBase ID: 168728
Molecular Formular: C8H8N2
Molecular Mass: 132.16252
Monoisotopic Mass: 132.06874827
SMILES and InChIs

SMILES:
c1c(nccc1CC)C#N
Canonical SMILES:
CCc1ccnc(c1)C#N
InChI:
InChI=1S/C8H8N2/c1-2-7-3-4-10-8(5-7)6-9/h3-5H,2H2,1H3
InChIKey:
WSIWRNNXMDBVGX-UHFFFAOYSA-N

Cite this record

CBID:168728 http://www.chembase.cn/molecule-168728.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethylpyridine-2-carbonitrile
IUPAC Traditional name
4-ethylpyridine-2-carbonitrile
Synonyms
2-Cyano-4-ethylpyridine
4-Ethyl-2-pyridinecarbonitrile
CAS Number
92486-38-9
PubChem SID
162262860
PubChem CID
14482378

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E925545 external link Add to cart
PubChem 14482378 external link
Data Source Data ID Price
TRC
E925545 external link Add to cart Please log in.
Data Source Data ID
PubChem 14482378 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9554452  LogD (pH = 7.4) 1.9555092 
Log P 1.9555099  Molar Refractivity 38.8929 cm3
Polarizability 14.871037 Å3 Polar Surface Area 36.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
DMSO expand Show data source
Apperance
Light Green Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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