ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate

C10H9NO4S — CID 59702061

IUPACethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C10H9NO4S/c1-2-15-10(14)7-8(12)5-3-16-4-6(5)11-9(7)13/h3-4,12H,2H2,1H3,(H,11,13)
InChIKeyZGQHOQNHPLBIEF-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.47
Rot. Bonds2

About ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate

ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate (PubChem CID 59702061) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate
PubChem CID59702061
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Nameethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C10H9NO4S/c1-2-15-10(14)7-8(12)5-3-16-4-6(5)11-9(7)13/h3-4,12H,2H2,1H3,(H,11,13)
InChIKeyZGQHOQNHPLBIEF-UHFFFAOYSA-N
XLogP1.47
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate (CID 59702061) is ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate is CCOC(=O)c1c(O)c2cscc2[nH]c1=O.
What is the InChIKey of ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate?
The InChIKey is ZGQHOQNHPLBIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-2-15-10(14)7-8(12)5-3-16-4-6(5)11-9(7)13/h3-4,12H,2H2,1H3,(H,11,13).
What are the key properties of ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate?
ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate has a molecular weight of 239.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 59702061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).