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

C7H5NO2S — CID 141092050

IUPAC2-hydroxy-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1ccc2sc(O)cc2[nH]1
InChIInChI=1S/C7H5NO2S/c9-6-2-1-5-4(8-6)3-7(10)11-5/h1-3,10H,(H,8,9)
InChIKeyCMAYETVWQFNFAD-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.30
Rot. Bonds

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

2-hydroxy-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 141092050) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-hydroxy-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name2-hydroxy-4H-thieno[3,2-b]pyridin-5-one
PubChem CID141092050
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Name2-hydroxy-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1ccc2sc(O)cc2[nH]1
InChIInChI=1S/C7H5NO2S/c9-6-2-1-5-4(8-6)3-7(10)11-5/h1-3,10H,(H,8,9)
InChIKeyCMAYETVWQFNFAD-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 2-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 2-hydroxy-4H-thieno[3,2-b]pyridin-5-one (CID 141092050) is 2-hydroxy-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 2-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 2-hydroxy-4H-thieno[3,2-b]pyridin-5-one is O=c1ccc2sc(O)cc2[nH]1.
What is the InChIKey of 2-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is CMAYETVWQFNFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c9-6-2-1-5-4(8-6)3-7(10)11-5/h1-3,10H,(H,8,9).
What are the key properties of 2-hydroxy-4H-thieno[3,2-b]pyridin-5-one?
2-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 2-hydroxy-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 141092050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).