ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate

C10H9NO4S — CID 54710119

IUPACethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C10H9NO4S/c1-2-15-10(14)6-7(12)8-5(3-4-16-8)11-9(6)13/h3-4H,2H2,1H3,(H2,11,12,13)
InChIKeyKQUKPJJTYCSWNH-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.47
Rot. Bonds2

About ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate

ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate (PubChem CID 54710119) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
PubChem CID54710119
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Nameethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C10H9NO4S/c1-2-15-10(14)6-7(12)8-5(3-4-16-8)11-9(6)13/h3-4H,2H2,1H3,(H2,11,12,13)
InChIKeyKQUKPJJTYCSWNH-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate (CID 54710119) is ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate is CCOC(=O)c1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is KQUKPJJTYCSWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-2-15-10(14)6-7(12)8-5(3-4-16-8)11-9(6)13/h3-4H,2H2,1H3,(H2,11,12,13).
What are the key properties of ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
ethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-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 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 54710119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).