diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate

C12H15NO5 — CID 754450

IUPACdiethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1C
InChIInChI=1S/C12H15NO5/c1-4-17-11(15)8-6-9(12(16)18-5-2)10(14)13-7(8)3/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyFXDLBWVSYYXICK-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.04
Rot. Bonds4

About diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate

diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate (PubChem CID 754450) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
PubChem CID754450
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namediethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1C
InChIInChI=1S/C12H15NO5/c1-4-17-11(15)8-6-9(12(16)18-5-2)10(14)13-7(8)3/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyFXDLBWVSYYXICK-UHFFFAOYSA-N
XLogP1.04
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 69225135
ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 46320509
ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 135021728
ethyl 5-acetyl-2-methyl-1H-pyrrole-3-carboxylate
CID 25219910
diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
CID 6501538
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate
CID 3810203
ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
CID 168862194
ethyl 2,5,8-trioxo-1H-quinoline-3-carboxylate
CID 121003181
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 5-acetyl-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxylate
CID 972820
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate (CID 754450) is diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate is CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1C.
What is the InChIKey of diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate?
The InChIKey is FXDLBWVSYYXICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-4-17-11(15)8-6-9(12(16)18-5-2)10(14)13-7(8)3/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate?
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate has a molecular weight of 253.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 754450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).