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

C13H9NO2S — CID 134973384

IUPAC7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1cc(O)c2sc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C13H9NO2S/c15-10-7-12(16)14-9-6-11(17-13(9)10)8-4-2-1-3-5-8/h1-7H,(H2,14,15,16)
InChIKeyCQEWADCNQBUXNO-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.96
Rot. Bonds1

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

7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 134973384) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one
PubChem CID134973384
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1cc(O)c2sc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C13H9NO2S/c15-10-7-12(16)14-9-6-11(17-13(9)10)8-4-2-1-3-5-8/h1-7H,(H2,14,15,16)
InChIKeyCQEWADCNQBUXNO-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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one (CID 134973384) is 7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one is O=c1cc(O)c2sc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is CQEWADCNQBUXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-10-7-12(16)14-9-6-11(17-13(9)10)8-4-2-1-3-5-8/h1-7H,(H2,14,15,16).
What are the key properties of 7-hydroxy-2-phenyl-4H-thieno[3,2-b]pyridin-5-one?
7-hydroxy-2-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-2-phenyl-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 134973384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).