5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid

C8H5NO3S — CID 69450967

IUPAC5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2ccsc12
InChIInChI=1S/C8H5NO3S/c10-6-3-4(8(11)12)7-5(9-6)1-2-13-7/h1-3H,(H,9,10)(H,11,12)
InChIKeyBALMKEAUXLAQOK-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.29
Rot. Bonds1

About 5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid

5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 69450967) has the molecular formula C8H5NO3S and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID69450967
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Name5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c2ccsc12
InChIInChI=1S/C8H5NO3S/c10-6-3-4(8(11)12)7-5(9-6)1-2-13-7/h1-3H,(H,9,10)(H,11,12)
InChIKeyBALMKEAUXLAQOK-UHFFFAOYSA-N
XLogP1.29
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid (CID 69450967) is 5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1cc(=O)[nH]c2ccsc12.
What is the InChIKey of 5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is BALMKEAUXLAQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-6-3-4(8(11)12)7-5(9-6)1-2-13-7/h1-3H,(H,9,10)(H,11,12).
What are the key properties of 5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid?
5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 69450967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).