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

C19H12FNO2S — CID 54747285

IUPAC3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccc(F)cc3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C19H12FNO2S/c20-13-8-6-11(7-9-13)14-10-24-19-16(14)17(22)15(18(23)21-19)12-4-2-1-3-5-12/h1-10H,(H2,21,22,23)
InChIKeyJQIFNILJRWJTKC-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.77
Rot. Bonds2

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

3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54747285) has the molecular formula C19H12FNO2S and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54747285
Molecular FormulaC19H12FNO2S
Molecular Weight337.38 g/mol
Exact Mass337.06
IUPAC Name3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccc(F)cc3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C19H12FNO2S/c20-13-8-6-11(7-9-13)14-10-24-19-16(14)17(22)15(18(23)21-19)12-4-2-1-3-5-12/h1-10H,(H2,21,22,23)
InChIKeyJQIFNILJRWJTKC-UHFFFAOYSA-N
XLogP4.77
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 54747285) is 3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2scc(-c3ccc(F)cc3)c2c(O)c1-c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is JQIFNILJRWJTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO2S/c20-13-8-6-11(7-9-13)14-10-24-19-16(14)17(22)15(18(23)21-19)12-4-2-1-3-5-12/h1-10H,(H2,21,22,23).
What are the key properties of 3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 337.38 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54747285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).