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

C19H13NO2S — CID 54729531

IUPAC4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccccc3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C19H13NO2S/c21-17-15(13-9-5-2-6-10-13)18(22)20-19-16(17)14(11-23-19)12-7-3-1-4-8-12/h1-11H,(H2,20,21,22)
InChIKeyCWMHWFSLRVRKRS-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.63
Rot. Bonds2

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

4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54729531) has the molecular formula C19H13NO2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54729531
Molecular FormulaC19H13NO2S
Molecular Weight319.39 g/mol
Exact Mass319.07
IUPAC Name4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccccc3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C19H13NO2S/c21-17-15(13-9-5-2-6-10-13)18(22)20-19-16(17)14(11-23-19)12-7-3-1-4-8-12/h1-11H,(H2,20,21,22)
InChIKeyCWMHWFSLRVRKRS-UHFFFAOYSA-N
XLogP4.63
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.63
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-diphenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one (CID 54729531) is 4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2scc(-c3ccccc3)c2c(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is CWMHWFSLRVRKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2S/c21-17-15(13-9-5-2-6-10-13)18(22)20-19-16(17)14(11-23-19)12-7-3-1-4-8-12/h1-11H,(H2,20,21,22).
What are the key properties of 4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 319.39 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-diphenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54729531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).