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

C10H9NO4S — CID 75525028

IUPACmethyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1c(O)c2scc(C)c2[nH]c1=O
InChIInChI=1S/C10H9NO4S/c1-4-3-16-8-6(4)11-9(13)5(7(8)12)10(14)15-2/h3H,1-2H3,(H2,11,12,13)
InChIKeyBQNQTRJDSHIOKA-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.39
Rot. Bonds1

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

methyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate (PubChem CID 75525028) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
PubChem CID75525028
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Namemethyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1c(O)c2scc(C)c2[nH]c1=O
InChIInChI=1S/C10H9NO4S/c1-4-3-16-8-6(4)11-9(13)5(7(8)12)10(14)15-2/h3H,1-2H3,(H2,11,12,13)
InChIKeyBQNQTRJDSHIOKA-UHFFFAOYSA-N
XLogP1.39
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of methyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate (CID 75525028) is methyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate is COC(=O)c1c(O)c2scc(C)c2[nH]c1=O.
What is the InChIKey of methyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is BQNQTRJDSHIOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-4-3-16-8-6(4)11-9(13)5(7(8)12)10(14)15-2/h3H,1-2H3,(H2,11,12,13).
What are the key properties of methyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
methyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 239.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 75525028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).