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147283-76-9 molecular structure
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ethyl 2-(3-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetate

ChemBase ID: 804026
Molecular Formular: C9H10N2O5
Molecular Mass: 226.1861
Monoisotopic Mass: 226.05897143
SMILES and InChIs

SMILES:
O(C(=O)Cn1c(=O)c(ccc1)[N+](=O)[O-])CC
Canonical SMILES:
CCOC(=O)Cn1cccc(c1=O)[N+](=O)[O-]
InChI:
InChI=1S/C9H10N2O5/c1-2-16-8(12)6-10-5-3-4-7(9(10)13)11(14)15/h3-5H,2,6H2,1H3
InChIKey:
YUAVHQCGIUMCPH-UHFFFAOYSA-N

Cite this record

CBID:804026 http://www.chembase.cn/molecule-804026.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(3-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetate
IUPAC Traditional name
ethyl 2-(3-nitro-2-oxopyridin-1-yl)acetate
Synonyms
ETHYL (3-NITRO-2-OXO-1,2-DIHYDROPYRIDYL)ACETATE
CAS Number
147283-76-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20810 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20810 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.008488465  LogD (pH = 7.4) -0.008488465 
Log P -0.008488465  Molar Refractivity 53.8338 cm3
Polarizability 20.168463 Å3 Polar Surface Area 89.75 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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