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

C20H14FNO3S — CID 67297331

IUPAC5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESCc1ccc(-c2csc3c2C(=O)C(F)(c2ccccc2)C(=O)N3)c(O)c1
InChIInChI=1S/C20H14FNO3S/c1-11-7-8-13(15(23)9-11)14-10-26-18-16(14)17(24)20(21,19(25)22-18)12-5-3-2-4-6-12/h2-10,23H,1H3,(H,22,25)
InChIKeyULEARJGOHYONKK-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.43
Rot. Bonds2

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

5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (PubChem CID 67297331) has the molecular formula C20H14FNO3S and a molecular weight of 367.40 g/mol. Its IUPAC name is 5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
PubChem CID67297331
Molecular FormulaC20H14FNO3S
Molecular Weight367.40 g/mol
Exact Mass367.07
IUPAC Name5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESCc1ccc(-c2csc3c2C(=O)C(F)(c2ccccc2)C(=O)N3)c(O)c1
InChIInChI=1S/C20H14FNO3S/c1-11-7-8-13(15(23)9-11)14-10-26-18-16(14)17(24)20(21,19(25)22-18)12-5-3-2-4-6-12/h2-10,23H,1H3,(H,22,25)
InChIKeyULEARJGOHYONKK-UHFFFAOYSA-N
XLogP4.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.43
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
3-[4-(2-hydroxyphenyl)phenyl]-4,6-dioxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
CID 66577055
2-(2-hydroxy-4-methylphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
CID 3623527
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
5-fluoro-3-(3-fluoro-2-hydroxy-4-methylphenyl)-2-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53302395
5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53302397
5-fluoro-3-(4-fluoro-2-hydroxyphenyl)-2-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53302398
2-chloro-5-fluoro-3-(5-fluoro-2-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53302399
2-chloro-5-fluoro-3-(3-fluoro-2-hydroxy-4-methylphenyl)-5-(4-fluorophenyl)-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53302499
2,5-dichloro-3-(3-fluoro-2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53302501
2,5-dichloro-3-(4-fluoro-2-hydroxy-3-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53302502

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The IUPAC name of 5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (CID 67297331) is 5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.
What is the SMILES notation for 5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The canonical SMILES for 5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is Cc1ccc(-c2csc3c2C(=O)C(F)(c2ccccc2)C(=O)N3)c(O)c1.
What is the InChIKey of 5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The InChIKey is ULEARJGOHYONKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3S/c1-11-7-8-13(15(23)9-11)14-10-26-18-16(14)17(24)20(21,19(25)22-18)12-5-3-2-4-6-12/h2-10,23H,1H3,(H,22,25).
What are the key properties of 5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione has a molecular weight of 367.40 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is sourced from PubChem (CID 67297331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).