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

C19H12FNO3S — CID 67297381

IUPAC5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESO=C1Nc2scc(-c3ccc(O)cc3)c2C(=O)C1(F)c1ccccc1
InChIInChI=1S/C19H12FNO3S/c20-19(12-4-2-1-3-5-12)16(23)15-14(10-25-17(15)21-18(19)24)11-6-8-13(22)9-7-11/h1-10,22H,(H,21,24)
InChIKeyBIXMBERAWZDIBT-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.12
Rot. Bonds2

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

5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (PubChem CID 67297381) has the molecular formula C19H12FNO3S and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
PubChem CID67297381
Molecular FormulaC19H12FNO3S
Molecular Weight353.37 g/mol
Exact Mass353.05
IUPAC Name5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESO=C1Nc2scc(-c3ccc(O)cc3)c2C(=O)C1(F)c1ccccc1
InChIInChI=1S/C19H12FNO3S/c20-19(12-4-2-1-3-5-12)16(23)15-14(10-25-17(15)21-18(19)24)11-6-8-13(22)9-7-11/h1-10,22H,(H,21,24)
InChIKeyBIXMBERAWZDIBT-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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Related Compounds

8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 161231673
2-[(2-Fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid
CID 1905157
3-[4-(2-hydroxyphenyl)phenyl]-4,6-dioxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
CID 66577055
2-[3-[4-(4-Hydroxyphenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid
CID 122181143
7-(4-Hydroxyphenyl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
CID 16765698
2-(4-Hydroxyphenyl)-1,2,3,5,6,7,8-heptahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one
CID 3593067
4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 24206402
2-[(4-fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic Acid
CID 1332955
6-Hydroxy-2-[[3-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
CID 169489500
6-Hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
CID 170454070
N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 42647466
2-chloro-5-fluoro-3-(3-fluoro-2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53302394

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The IUPAC name of 5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (CID 67297381) is 5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.
What is the SMILES notation for 5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The canonical SMILES for 5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is O=C1Nc2scc(-c3ccc(O)cc3)c2C(=O)C1(F)c1ccccc1.
What is the InChIKey of 5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The InChIKey is BIXMBERAWZDIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO3S/c20-19(12-4-2-1-3-5-12)16(23)15-14(10-25-17(15)21-18(19)24)11-6-8-13(22)9-7-11/h1-10,22H,(H,21,24).
What are the key properties of 5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
5-fluoro-3-(4-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-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is sourced from PubChem (CID 67297381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).