4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one

C9H9NO2S — CID 59702066

IUPAC4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one
SMILESCc1c(O)c2c(C)scc2[nH]c1=O
InChIInChI=1S/C9H9NO2S/c1-4-8(11)7-5(2)13-3-6(7)10-9(4)12/h3,11H,1-2H3,(H,10,12)
InChIKeyRVJFTEIDGMGSPB-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.91
Rot. Bonds

About 4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one

4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one (PubChem CID 59702066) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one
PubChem CID59702066
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one
SMILESCc1c(O)c2c(C)scc2[nH]c1=O
InChIInChI=1S/C9H9NO2S/c1-4-8(11)7-5(2)13-3-6(7)10-9(4)12/h3,11H,1-2H3,(H,10,12)
InChIKeyRVJFTEIDGMGSPB-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 4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one?
The IUPAC name of 4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one (CID 59702066) is 4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one?
The canonical SMILES for 4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one is Cc1c(O)c2c(C)scc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one?
The InChIKey is RVJFTEIDGMGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-4-8(11)7-5(2)13-3-6(7)10-9(4)12/h3,11H,1-2H3,(H,10,12).
What are the key properties of 4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one?
4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-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 4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one is sourced from PubChem (CID 59702066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).