methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate

C11H11NO4S — CID 69068426

IUPACmethyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)c2csc(C)c2n(C)c1=O
InChIInChI=1S/C11H11NO4S/c1-5-8-6(4-17-5)9(13)7(11(15)16-3)10(14)12(8)2/h4,13H,1-3H3
InChIKeyCSLBIJVZCIGVJR-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.40
Rot. Bonds1

About methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate

methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate (PubChem CID 69068426) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate
PubChem CID69068426
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Namemethyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)c2csc(C)c2n(C)c1=O
InChIInChI=1S/C11H11NO4S/c1-5-8-6(4-17-5)9(13)7(11(15)16-3)10(14)12(8)2/h4,13H,1-3H3
InChIKeyCSLBIJVZCIGVJR-UHFFFAOYSA-N
XLogP1.40
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate (CID 69068426) is methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate is COC(=O)c1c(O)c2csc(C)c2n(C)c1=O.
What is the InChIKey of methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate?
The InChIKey is CSLBIJVZCIGVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-5-8-6(4-17-5)9(13)7(11(15)16-3)10(14)12(8)2/h4,13H,1-3H3.
What are the key properties of methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate?
methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate has a molecular weight of 253.28 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 69068426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).