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

C13H9NO2S — CID 54688796

IUPAC4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sccc2c(O)c1-c1ccccc1
InChIInChI=1S/C13H9NO2S/c15-11-9-6-7-17-13(9)14-12(16)10(11)8-4-2-1-3-5-8/h1-7H,(H2,14,15,16)
InChIKeyLLZJLIULTBEDHM-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.96
Rot. Bonds1

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

4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54688796) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54688796
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sccc2c(O)c1-c1ccccc1
InChIInChI=1S/C13H9NO2S/c15-11-9-6-7-17-13(9)14-12(16)10(11)8-4-2-1-3-5-8/h1-7H,(H2,14,15,16)
InChIKeyLLZJLIULTBEDHM-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 4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 54688796) is 4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2sccc2c(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is LLZJLIULTBEDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-11-9-6-7-17-13(9)14-12(16)10(11)8-4-2-1-3-5-8/h1-7H,(H2,14,15,16).
What are the key properties of 4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-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 4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54688796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).