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

C8H7NO2S — CID 46211987

IUPAC6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1cc2[nH]c(=O)c(O)cc2s1
InChIInChI=1S/C8H7NO2S/c1-4-2-5-7(12-4)3-6(10)8(11)9-5/h2-3,10H,1H3,(H,9,11)
InChIKeyDLOSQXVOMXURCW-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.60
Rot. Bonds

About 6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one

6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 46211987) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one
PubChem CID46211987
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1cc2[nH]c(=O)c(O)cc2s1
InChIInChI=1S/C8H7NO2S/c1-4-2-5-7(12-4)3-6(10)8(11)9-5/h2-3,10H,1H3,(H,9,11)
InChIKeyDLOSQXVOMXURCW-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 6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one (CID 46211987) is 6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one is Cc1cc2[nH]c(=O)c(O)cc2s1.
What is the InChIKey of 6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is DLOSQXVOMXURCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c1-4-2-5-7(12-4)3-6(10)8(11)9-5/h2-3,10H,1H3,(H,9,11).
What are the key properties of 6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one?
6-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 6-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 46211987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).