methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate

C10H9NO4S — CID 54706421

IUPACmethyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1c(O)c2ccsc2n(C)c1=O
InChIInChI=1S/C10H9NO4S/c1-11-8(13)6(10(14)15-2)7(12)5-3-4-16-9(5)11/h3-4,12H,1-2H3
InChIKeyOHWSOVCUZUHMRN-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.09
Rot. Bonds1

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

methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate (PubChem CID 54706421) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate
PubChem CID54706421
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Namemethyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1c(O)c2ccsc2n(C)c1=O
InChIInChI=1S/C10H9NO4S/c1-11-8(13)6(10(14)15-2)7(12)5-3-4-16-9(5)11/h3-4,12H,1-2H3
InChIKeyOHWSOVCUZUHMRN-UHFFFAOYSA-N
XLogP1.09
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate (CID 54706421) is methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate is COC(=O)c1c(O)c2ccsc2n(C)c1=O.
What is the InChIKey of methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is OHWSOVCUZUHMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-11-8(13)6(10(14)15-2)7(12)5-3-4-16-9(5)11/h3-4,12H,1-2H3.
What are the key properties of methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate?
methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 239.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 54706421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).