7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one

C13H9NO2S — CID 54724699

IUPAC7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1[nH]c2ccsc2c(O)c1-c1ccccc1
InChIInChI=1S/C13H9NO2S/c15-11-10(8-4-2-1-3-5-8)13(16)14-9-6-7-17-12(9)11/h1-7H,(H2,14,15,16)
InChIKeyIHPTWNRIWNMNSC-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.96
Rot. Bonds1

About 7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one

7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 54724699) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one
PubChem CID54724699
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1[nH]c2ccsc2c(O)c1-c1ccccc1
InChIInChI=1S/C13H9NO2S/c15-11-10(8-4-2-1-3-5-8)13(16)14-9-6-7-17-12(9)11/h1-7H,(H2,14,15,16)
InChIKeyIHPTWNRIWNMNSC-UHFFFAOYSA-N
XLogP2.96
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one 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 7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one (CID 54724699) is 7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one is O=c1[nH]c2ccsc2c(O)c1-c1ccccc1.
What is the InChIKey of 7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is IHPTWNRIWNMNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-11-10(8-4-2-1-3-5-8)13(16)14-9-6-7-17-12(9)11/h1-7H,(H2,14,15,16).
What are the key properties of 7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one?
7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 243.29 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-phenyl-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 54724699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).