3,5-Bis-ethoxycarbonyl-6-methyl-2-pyridone

HCID 754450
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Basic information

Standard SMILES
CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1C
InChIKey
FXDLBWVSYYXICK-UHFFFAOYSA-N
Molecular formula
C12H15NO5
Average molar mass
253.25 g/mol

Names & identifiers

Preferred name
3,5-Bis-ethoxycarbonyl-6-methyl-2-pyridone
IUPAC
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate

Names & synonyms

Oprea1_326051CBDivE_014864MLS000392043SCHEMBL9671945CHEMBL1509593FXDLBWVSYYXICK-UHFFFAOYSA-NHMS2574D17MFCD00595633AKOS001600705SMR0001025633,5-Bis-ethoxycarbonyl-6-methyl-2-pyridoneSR-01000406423
Show more names
SR-01000406423-1diethyl 6-methyl-2-oxo-1,2-dihydro-3,5-pyridinedicarboxylate3,5-diethyl 6-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxylate

Database identifiers

PubChem CID
754450
ChEMBL
CHEMBL1509593

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
81.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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