3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one

C15H13NO2S — CID 54716744

IUPAC3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCCc1csc2[nH]c(=O)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C15H13NO2S/c1-2-9-8-19-15-12(9)13(17)11(14(18)16-15)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,16,17,18)
InChIKeyPLEMTAAEKYPHBB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.52
Rot. Bonds2

About 3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one

3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54716744) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54716744
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCCc1csc2[nH]c(=O)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C15H13NO2S/c1-2-9-8-19-15-12(9)13(17)11(14(18)16-15)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,16,17,18)
InChIKeyPLEMTAAEKYPHBB-UHFFFAOYSA-N
XLogP3.52
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 54716744) is 3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is CCc1csc2[nH]c(=O)c(-c3ccccc3)c(O)c12.
What is the InChIKey of 3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is PLEMTAAEKYPHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-9-8-19-15-12(9)13(17)11(14(18)16-15)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,16,17,18).
What are the key properties of 3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 271.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54716744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).