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162104753 molecular structure
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6-methoxy-2-methylpyridine-3-carbonitrile

ChemBase ID: 90482
Molecular Formular: C8H8N2O
Molecular Mass: 148.16192
Monoisotopic Mass: 148.06366289
SMILES and InChIs

SMILES:
n1c(c(ccc1OC)C#N)C
Canonical SMILES:
COc1ccc(c(n1)C)C#N
InChI:
InChI=1S/C8H8N2O/c1-6-7(5-9)3-4-8(10-6)11-2/h3-4H,1-2H3
InChIKey:
ZDVDVDYVVWUZAP-UHFFFAOYSA-N

Cite this record

CBID:90482 http://www.chembase.cn/molecule-90482.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxy-2-methylpyridine-3-carbonitrile
IUPAC Traditional name
6-methoxy-2-methylpyridine-3-carbonitrile
Synonyms
6-Methoxy-2-methylpyridine-3-carbonitrile
3-Cyano-6-methoxy-2-methylpyridine
6-Methoxy-2-methylnicotinonitrile
PubChem SID
162104753
PubChem CID
13749918

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR60153 external link Add to cart Please log in.
Data Source Data ID
PubChem 13749918 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1798244  LogD (pH = 7.4) 1.179826 
Log P 1.179826  Molar Refractivity 40.9909 cm3
Polarizability 15.551462 Å3 Polar Surface Area 45.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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