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208110-83-2 molecular structure
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6-(dimethylamino)pyridine-2-carbaldehyde

ChemBase ID: 798861
Molecular Formular: C8H10N2O
Molecular Mass: 150.1778
Monoisotopic Mass: 150.07931295
SMILES and InChIs

SMILES:
c1cc(nc(c1)C=O)N(C)C
Canonical SMILES:
O=Cc1cccc(n1)N(C)C
InChI:
InChI=1S/C8H10N2O/c1-10(2)8-5-3-4-7(6-11)9-8/h3-6H,1-2H3
InChIKey:
ZTVIIARHSJJRHR-UHFFFAOYSA-N

Cite this record

CBID:798861 http://www.chembase.cn/molecule-798861.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(dimethylamino)pyridine-2-carbaldehyde
IUPAC Traditional name
6-(dimethylamino)pyridine-2-carbaldehyde
Synonyms
6-(dimethylamino)picolinaldehyde
CAS Number
208110-83-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7403295  LogD (pH = 7.4) 1.8436263 
Log P 1.8451202  Molar Refractivity 44.842 cm3
Polarizability 16.152023 Å3 Polar Surface Area 33.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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