dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate

C10H11NO6 — CID 126633344

IUPACdimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate
SMILESCOC(=O)c1[nH]cc(C(=O)OC)c(=O)c1OC
InChIInChI=1S/C10H11NO6/c1-15-8-6(10(14)17-3)11-4-5(7(8)12)9(13)16-2/h4H,1-3H3,(H,11,12)
InChIKeyWKAXUTPMYVARIF-UHFFFAOYSA-N
MW241.20 g/mol
LogP-0.04
Rot. Bonds3

About dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate

dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate (PubChem CID 126633344) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate
PubChem CID126633344
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Namedimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate
SMILESCOC(=O)c1[nH]cc(C(=O)OC)c(=O)c1OC
InChIInChI=1S/C10H11NO6/c1-15-8-6(10(14)17-3)11-4-5(7(8)12)9(13)16-2/h4H,1-3H3,(H,11,12)
InChIKeyWKAXUTPMYVARIF-UHFFFAOYSA-N
XLogP-0.04
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-bis(methoxycarbonyl)-1H-pyrrole-2-carboxylic acid
CID 70300022
methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 119084145
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 102941635
methyl 5-bromo-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130110472
methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 102941642
methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
CID 59600568
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 115050494
methyl 2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 142660274
dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate
CID 15441123
methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848812
methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate
CID 90741354

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate?
The IUPAC name of dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate (CID 126633344) is dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate?
The canonical SMILES for dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate is COC(=O)c1[nH]cc(C(=O)OC)c(=O)c1OC.
What is the InChIKey of dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate?
The InChIKey is WKAXUTPMYVARIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-15-8-6(10(14)17-3)11-4-5(7(8)12)9(13)16-2/h4H,1-3H3,(H,11,12).
What are the key properties of dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate?
dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate has a molecular weight of 241.20 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate is sourced from PubChem (CID 126633344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).