dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate

C10H11NO5 — CID 4267279

IUPACdimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate
SMILESCOC(=O)c1cc(=O)cc(C(=O)OC)n1C
InChIInChI=1S/C10H11NO5/c1-11-7(9(13)15-2)4-6(12)5-8(11)10(14)16-3/h4-5H,1-3H3
InChIKeyOBLSOSYGRYOUJU-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.04
Rot. Bonds2

About dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate

dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate (PubChem CID 4267279) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate
PubChem CID4267279
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Namedimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate
SMILESCOC(=O)c1cc(=O)cc(C(=O)OC)n1C
InChIInChI=1S/C10H11NO5/c1-11-7(9(13)15-2)4-6(12)5-8(11)10(14)16-3/h4-5H,1-3H3
InChIKeyOBLSOSYGRYOUJU-UHFFFAOYSA-N
XLogP-0.04
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate (CID 4267279) is dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate is COC(=O)c1cc(=O)cc(C(=O)OC)n1C.
What is the InChIKey of dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate?
The InChIKey is OBLSOSYGRYOUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-11-7(9(13)15-2)4-6(12)5-8(11)10(14)16-3/h4-5H,1-3H3.
What are the key properties of dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate?
dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate has a molecular weight of 225.20 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-4-oxopyridine-2,6-dicarboxylate is sourced from PubChem (CID 4267279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).