4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid

C11H11NO4S — CID 141140928

IUPAC4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid
SMILESCC(C)n1c(=O)c(C(=O)O)c(O)c2ccsc21
InChIInChI=1S/C11H11NO4S/c1-5(2)12-9(14)7(11(15)16)8(13)6-3-4-17-10(6)12/h3-5,13H,1-2H3,(H,15,16)
InChIKeyJUMPCISLMMHQIG-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.05
Rot. Bonds2

About 4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid

4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 141140928) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID141140928
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid
SMILESCC(C)n1c(=O)c(C(=O)O)c(O)c2ccsc21
InChIInChI=1S/C11H11NO4S/c1-5(2)12-9(14)7(11(15)16)8(13)6-3-4-17-10(6)12/h3-5,13H,1-2H3,(H,15,16)
InChIKeyJUMPCISLMMHQIG-UHFFFAOYSA-N
XLogP2.05
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid (CID 141140928) is 4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid is CC(C)n1c(=O)c(C(=O)O)c(O)c2ccsc21.
What is the InChIKey of 4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is JUMPCISLMMHQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-5(2)12-9(14)7(11(15)16)8(13)6-3-4-17-10(6)12/h3-5,13H,1-2H3,(H,15,16).
What are the key properties of 4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid?
4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 253.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 141140928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).