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

C8H7NO2S — CID 102974772

IUPAC7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1csc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C8H7NO2S/c1-4-3-12-8-5(10)2-6(11)9-7(4)8/h2-3H,1H3,(H2,9,10,11)
InChIKeyRQXWLPBHPUOQHT-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.60
Rot. Bonds

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

7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 102974772) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one
PubChem CID102974772
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1csc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C8H7NO2S/c1-4-3-12-8-5(10)2-6(11)9-7(4)8/h2-3H,1H3,(H2,9,10,11)
InChIKeyRQXWLPBHPUOQHT-UHFFFAOYSA-N
XLogP1.60
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one (CID 102974772) is 7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one is Cc1csc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is RQXWLPBHPUOQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c1-4-3-12-8-5(10)2-6(11)9-7(4)8/h2-3H,1H3,(H2,9,10,11).
What are the key properties of 7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one?
7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 181.22 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 102974772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).