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

C10H9NO4S — CID 69072782

IUPACmethyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)c2cscc2n(C)c1=O
InChIInChI=1S/C10H9NO4S/c1-11-6-4-16-3-5(6)8(12)7(9(11)13)10(14)15-2/h3-4,12H,1-2H3
InChIKeyFVMLAWVZHPKPEP-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.09
Rot. Bonds1

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

methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate (PubChem CID 69072782) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate
PubChem CID69072782
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Namemethyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)c2cscc2n(C)c1=O
InChIInChI=1S/C10H9NO4S/c1-11-6-4-16-3-5(6)8(12)7(9(11)13)10(14)15-2/h3-4,12H,1-2H3
InChIKeyFVMLAWVZHPKPEP-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

Analyze methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 7-hydroxy-4-methyl-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxylate
CID 57744891
Methyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate
CID 54706421
Ethyl 4-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate
CID 54712467
1,2-Dihydro-4-hydroxy-2-oxothieno[3,4-b]pyridine-3-carboxylic acid methyl ester
CID 57970146
7-Hydroxy-5-oxo-4,5-dihydro-2-thia-4-aza-indene-6-carboxylic acid ethyl ester
CID 59702061
Ethyl 7-hydroxy-3,4-dimethyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxylate
CID 67429695
4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid
CID 68863065
Ethyl 4-hydroxy-1,5-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate
CID 69067185
Methyl 4-hydroxy-1,7-dimethyl-2-oxothieno[3,4-b]pyridine-3-carboxylate
CID 69068426
6,7-Dihydro-3,7-dimethyl-4-hydroxy-6-oxo-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester
CID 69076002
4-Hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid
CID 69076468
4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
CID 70948680

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate (CID 69072782) is methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate is COC(=O)c1c(O)c2cscc2n(C)c1=O.
What is the InChIKey of methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate?
The InChIKey is FVMLAWVZHPKPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-11-6-4-16-3-5(6)8(12)7(9(11)13)10(14)15-2/h3-4,12H,1-2H3.
What are the key properties of methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate?
methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-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-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 69072782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).