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764651-70-9 molecular structure
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6-(dimethylamino)-4-methylpyridine-3-carbonitrile

ChemBase ID: 76869
Molecular Formular: C9H11N3
Molecular Mass: 161.20374
Monoisotopic Mass: 161.09529737
SMILES and InChIs

SMILES:
n1cc(c(cc1N(C)C)C)C#N
Canonical SMILES:
N#Cc1cnc(cc1C)N(C)C
InChI:
InChI=1S/C9H11N3/c1-7-4-9(12(2)3)11-6-8(7)5-10/h4,6H,1-3H3
InChIKey:
FYIQJYDWMKHLCV-UHFFFAOYSA-N

Cite this record

CBID:76869 http://www.chembase.cn/molecule-76869.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(dimethylamino)-4-methylpyridine-3-carbonitrile
IUPAC Traditional name
6-(dimethylamino)-4-methylpyridine-3-carbonitrile
Synonyms
3-Cyano-6-(dimethylamino)-4-methylpyridine
6-(Dimethylamino)-4-methylnicotinonitrile
CAS Number
764651-70-9
MDL Number
MFCD09998370
PubChem SID
162041771
PubChem CID
26370298

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR13625 external link Add to cart Please log in.
Data Source Data ID
PubChem 26370298 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8220339  LogD (pH = 7.4) 1.8275219 
Log P 1.8275924  Molar Refractivity 49.406 cm3
Polarizability 17.845022 Å3 Polar Surface Area 39.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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