5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate

C12H11NO6 — CID 10038479

IUPAC5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1c[nH]c2oc(C(=O)OC)cc2c1=O
InChIInChI=1S/C12H11NO6/c1-3-18-11(15)7-5-13-10-6(9(7)14)4-8(19-10)12(16)17-2/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyXLPDCJWZHQUKJV-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.08
Rot. Bonds3

About 5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate

5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate (PubChem CID 10038479) has the molecular formula C12H11NO6 and a molecular weight of 265.22 g/mol. Its IUPAC name is 5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate
PubChem CID10038479
Molecular FormulaC12H11NO6
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1c[nH]c2oc(C(=O)OC)cc2c1=O
InChIInChI=1S/C12H11NO6/c1-3-18-11(15)7-5-13-10-6(9(7)14)4-8(19-10)12(16)17-2/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyXLPDCJWZHQUKJV-UHFFFAOYSA-N
XLogP1.08
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate (CID 10038479) is 5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate is CCOC(=O)c1c[nH]c2oc(C(=O)OC)cc2c1=O.
What is the InChIKey of 5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate?
The InChIKey is XLPDCJWZHQUKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO6/c1-3-18-11(15)7-5-13-10-6(9(7)14)4-8(19-10)12(16)17-2/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate?
5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate has a molecular weight of 265.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 2-O-methyl 4-oxo-7H-furo[2,3-b]pyridine-2,5-dicarboxylate is sourced from PubChem (CID 10038479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).