4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one

C13H9NO2S — CID 54692129

IUPAC4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one
SMILESO=c1[nH]c2cscc2c(O)c1-c1ccccc1
InChIInChI=1S/C13H9NO2S/c15-12-9-6-17-7-10(9)14-13(16)11(12)8-4-2-1-3-5-8/h1-7,15H,(H,14,16)
InChIKeyCGXIBTQEEPUSQA-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.96
Rot. Bonds1

About 4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one

4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one (PubChem CID 54692129) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one
PubChem CID54692129
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one
SMILESO=c1[nH]c2cscc2c(O)c1-c1ccccc1
InChIInChI=1S/C13H9NO2S/c15-12-9-6-17-7-10(9)14-13(16)11(12)8-4-2-1-3-5-8/h1-7,15H,(H,14,16)
InChIKeyCGXIBTQEEPUSQA-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-3-phenyl-1H-thieno[3,4-b]pyridin-2-one?
The IUPAC name of 4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one (CID 54692129) is 4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one is O=c1[nH]c2cscc2c(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one?
The InChIKey is CGXIBTQEEPUSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-12-9-6-17-7-10(9)14-13(16)11(12)8-4-2-1-3-5-8/h1-7,15H,(H,14,16).
What are the key properties of 4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-one?
4-hydroxy-3-phenyl-1H-thieno[3,4-b]pyridin-2-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-3-phenyl-1H-thieno[3,4-b]pyridin-2-one is sourced from PubChem (CID 54692129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).