5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione

C19H12FNO3S — CID 67297367

IUPAC5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESO=C1Nc2scc(-c3cccc(O)c3)c2C(=O)C1(F)c1ccccc1
InChIInChI=1S/C19H12FNO3S/c20-19(12-6-2-1-3-7-12)16(23)15-14(10-25-17(15)21-18(19)24)11-5-4-8-13(22)9-11/h1-10,22H,(H,21,24)
InChIKeyHHKZDJLHPFASBN-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.12
Rot. Bonds2

About 5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione

5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (PubChem CID 67297367) has the molecular formula C19H12FNO3S and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
PubChem CID67297367
Molecular FormulaC19H12FNO3S
Molecular Weight353.37 g/mol
Exact Mass353.05
IUPAC Name5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESO=C1Nc2scc(-c3cccc(O)c3)c2C(=O)C1(F)c1ccccc1
InChIInChI=1S/C19H12FNO3S/c20-19(12-6-2-1-3-7-12)16(23)15-14(10-25-17(15)21-18(19)24)11-5-4-8-13(22)9-11/h1-10,22H,(H,21,24)
InChIKeyHHKZDJLHPFASBN-UHFFFAOYSA-N
XLogP4.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The IUPAC name of 5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (CID 67297367) is 5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.
What is the SMILES notation for 5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The canonical SMILES for 5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is O=C1Nc2scc(-c3cccc(O)c3)c2C(=O)C1(F)c1ccccc1.
What is the InChIKey of 5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The InChIKey is HHKZDJLHPFASBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO3S/c20-19(12-6-2-1-3-7-12)16(23)15-14(10-25-17(15)21-18(19)24)11-5-4-8-13(22)9-11/h1-10,22H,(H,21,24).
What are the key properties of 5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione has a molecular weight of 353.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is sourced from PubChem (CID 67297367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).