2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione

C20H13ClFNO2S — CID 53303064

About 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione

2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (PubChem CID 53303064) has the molecular formula C20H13ClFNO2S and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.

Molecular Properties

• Compound Name: 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
• PubChem CID: 53303064
• Molecular Formula: C20H13ClFNO2S
• Molecular Weight: 385.85 g/mol
• Exact Mass: 385.03
• IUPAC Name: 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
• SMILES: CC1(c2ccccc2)C(=O)Nc2sc(Cl)c(-c3ccccc3F)c2C1=O
• InChI: InChI=1S/C20H13ClFNO2S/c1-20(11-7-3-2-4-8-11)16(24)15-14(12-9-5-6-10-13(12)22)17(21)26-18(15)23-19(20)25/h2-10H,1H3,(H,23,25)
• InChIKey: JBIZNNATFDDAFF-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.85
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?

The IUPAC name of 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (CID 53303064) is 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.

What is the SMILES notation for 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?

The canonical SMILES for 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is CC1(c2ccccc2)C(=O)Nc2sc(Cl)c(-c3ccccc3F)c2C1=O.

What is the InChIKey of 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?

The InChIKey is JBIZNNATFDDAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNO2S/c1-20(11-7-3-2-4-8-11)16(24)15-14(12-9-5-6-10-13(12)22)17(21)26-18(15)23-19(20)25/h2-10H,1H3,(H,23,25).

What are the key properties of 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?

2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione has a molecular weight of 385.85 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is sourced from PubChem (CID 53303064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).