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

C8H7NO2S — CID 56604060

IUPAC7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1cc2[nH]c(=O)cc(O)c2s1
InChIInChI=1S/C8H7NO2S/c1-4-2-5-8(12-4)6(10)3-7(11)9-5/h2-3H,1H3,(H2,9,10,11)
InChIKeyUBDVSPYLFWSUAC-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.60
Rot. Bonds

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

7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 56604060) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one
PubChem CID56604060
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1cc2[nH]c(=O)cc(O)c2s1
InChIInChI=1S/C8H7NO2S/c1-4-2-5-8(12-4)6(10)3-7(11)9-5/h2-3H,1H3,(H2,9,10,11)
InChIKeyUBDVSPYLFWSUAC-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-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one (CID 56604060) is 7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one is Cc1cc2[nH]c(=O)cc(O)c2s1.
What is the InChIKey of 7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is UBDVSPYLFWSUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c1-4-2-5-8(12-4)6(10)3-7(11)9-5/h2-3H,1H3,(H2,9,10,11).
What are the key properties of 7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
7-hydroxy-2-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-2-methyl-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 56604060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).