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

C9H9NO2S — CID 134855155

IUPAC7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1sc2c(O)cc(=O)[nH]c2c1C
InChIInChI=1S/C9H9NO2S/c1-4-5(2)13-9-6(11)3-7(12)10-8(4)9/h3H,1-2H3,(H2,10,11,12)
InChIKeyGYHIZOXJKFSHGL-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.91
Rot. Bonds

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

7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 134855155) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one
PubChem CID134855155
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1sc2c(O)cc(=O)[nH]c2c1C
InChIInChI=1S/C9H9NO2S/c1-4-5(2)13-9-6(11)3-7(12)10-8(4)9/h3H,1-2H3,(H2,10,11,12)
InChIKeyGYHIZOXJKFSHGL-UHFFFAOYSA-N
XLogP1.91
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one (CID 134855155) is 7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one is Cc1sc2c(O)cc(=O)[nH]c2c1C.
What is the InChIKey of 7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is GYHIZOXJKFSHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-4-5(2)13-9-6(11)3-7(12)10-8(4)9/h3H,1-2H3,(H2,10,11,12).
What are the key properties of 7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one?
7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 195.24 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,3-dimethyl-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 134855155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).