4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid

C13H9NO3S — CID 12677800

IUPAC4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c([nH]1)-c1ccccc1SC2
InChIInChI=1S/C13H9NO3S/c15-10-5-9(13(16)17)14-12-7-3-1-2-4-11(7)18-6-8(10)12/h1-5H,6H2,(H,14,15)(H,16,17)
InChIKeyNAEUGOFVAQWABO-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.35
Rot. Bonds1

About 4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid

4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid (PubChem CID 12677800) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
PubChem CID12677800
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c([nH]1)-c1ccccc1SC2
InChIInChI=1S/C13H9NO3S/c15-10-5-9(13(16)17)14-12-7-3-1-2-4-11(7)18-6-8(10)12/h1-5H,6H2,(H,14,15)(H,16,17)
InChIKeyNAEUGOFVAQWABO-UHFFFAOYSA-N
XLogP2.35
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid (CID 12677800) is 4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc(=O)c2c([nH]1)-c1ccccc1SC2.
What is the InChIKey of 4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The InChIKey is NAEUGOFVAQWABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c15-10-5-9(13(16)17)14-12-7-3-1-2-4-11(7)18-6-8(10)12/h1-5H,6H2,(H,14,15)(H,16,17).
What are the key properties of 4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 12677800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).