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

C9H7NO4S — CID 69076468

IUPAC4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)c(O)c2cscc21
InChIInChI=1S/C9H7NO4S/c1-10-5-3-15-2-4(5)7(11)6(8(10)12)9(13)14/h2-3,11H,1H3,(H,13,14)
InChIKeyJXKAFZKMCXUIJR-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.00
Rot. Bonds1

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

4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid (PubChem CID 69076468) has the molecular formula C9H7NO4S and a molecular weight of 225.22 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid
PubChem CID69076468
Molecular FormulaC9H7NO4S
Molecular Weight225.22 g/mol
Exact Mass225.01
IUPAC Name4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)c(O)c2cscc21
InChIInChI=1S/C9H7NO4S/c1-10-5-3-15-2-4(5)7(11)6(8(10)12)9(13)14/h2-3,11H,1H3,(H,13,14)
InChIKeyJXKAFZKMCXUIJR-UHFFFAOYSA-N
XLogP1.00
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid (CID 69076468) is 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid is Cn1c(=O)c(C(=O)O)c(O)c2cscc21.
What is the InChIKey of 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is JXKAFZKMCXUIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4S/c1-10-5-3-15-2-4(5)7(11)6(8(10)12)9(13)14/h2-3,11H,1H3,(H,13,14).
What are the key properties of 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid?
4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 69076468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).