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

C7H5NO2S — CID 54679747

IUPAC7-hydroxy-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1cc(O)c2sccc2[nH]1
InChIInChI=1S/C7H5NO2S/c9-5-3-6(10)8-4-1-2-11-7(4)5/h1-3H,(H2,8,9,10)
InChIKeyVHXFEWNGLCHCOX-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.30
Rot. Bonds

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

7-hydroxy-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 54679747) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is 7-hydroxy-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-4H-thieno[3,2-b]pyridin-5-one
PubChem CID54679747
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Name7-hydroxy-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1cc(O)c2sccc2[nH]1
InChIInChI=1S/C7H5NO2S/c9-5-3-6(10)8-4-1-2-11-7(4)5/h1-3H,(H2,8,9,10)
InChIKeyVHXFEWNGLCHCOX-UHFFFAOYSA-N
XLogP1.30
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-4H-thieno[3,2-b]pyridin-5-one (CID 54679747) is 7-hydroxy-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-4H-thieno[3,2-b]pyridin-5-one is O=c1cc(O)c2sccc2[nH]1.
What is the InChIKey of 7-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is VHXFEWNGLCHCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c9-5-3-6(10)8-4-1-2-11-7(4)5/h1-3H,(H2,8,9,10).
What are the key properties of 7-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
7-hydroxy-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 167.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 54679747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).