4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one

C13H9NO3S — CID 54689891

IUPAC4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1cc(O)c2c(-c3ccc(O)cc3)csc2[nH]1
InChIInChI=1S/C13H9NO3S/c15-8-3-1-7(2-4-8)9-6-18-13-12(9)10(16)5-11(17)14-13/h1-6,15H,(H2,14,16,17)
InChIKeyVSILDACPSVYVAU-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.67
Rot. Bonds1

About 4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one

4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54689891) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54689891
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1cc(O)c2c(-c3ccc(O)cc3)csc2[nH]1
InChIInChI=1S/C13H9NO3S/c15-8-3-1-7(2-4-8)9-6-18-13-12(9)10(16)5-11(17)14-13/h1-6,15H,(H2,14,16,17)
InChIKeyVSILDACPSVYVAU-UHFFFAOYSA-N
XLogP2.67
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (CID 54689891) is 4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is O=c1cc(O)c2c(-c3ccc(O)cc3)csc2[nH]1.
What is the InChIKey of 4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is VSILDACPSVYVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c15-8-3-1-7(2-4-8)9-6-18-13-12(9)10(16)5-11(17)14-13/h1-6,15H,(H2,14,16,17).
What are the key properties of 4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 259.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54689891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).