4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid

C20H14FNO3S — CID 94086361

About 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid

4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid (PubChem CID 94086361) has the molecular formula C20H14FNO3S and a molecular weight of 367.40 g/mol. Its IUPAC name is 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid.

Molecular Properties

• Compound Name: 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid
• PubChem CID: 94086361
• Molecular Formula: C20H14FNO3S
• Molecular Weight: 367.40 g/mol
• Exact Mass: 367.07
• IUPAC Name: 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid
• SMILES: O=C1C[C@H](c2ccc(C(=O)O)cc2)c2scc(-c3ccccc3F)c2N1
• InChI: InChI=1S/C20H14FNO3S/c21-16-4-2-1-3-13(16)15-10-26-19-14(9-17(23)22-18(15)19)11-5-7-12(8-6-11)20(24)25/h1-8,10,14H,9H2,(H,22,23)(H,24,25)/t14-/m1/s1
• InChIKey: WMHLNKLKIUYZHK-CQSZACIVSA-N
• XLogP: 4.73
• TPSA: 66.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.40
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid?

The IUPAC name of 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid (CID 94086361) is 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid.

What is the SMILES notation for 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid?

The canonical SMILES for 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid is O=C1C[C@H](c2ccc(C(=O)O)cc2)c2scc(-c3ccccc3F)c2N1.

What is the InChIKey of 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid?

The InChIKey is WMHLNKLKIUYZHK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H14FNO3S/c21-16-4-2-1-3-13(16)15-10-26-19-14(9-17(23)22-18(15)19)11-5-7-12(8-6-11)20(24)25/h1-8,10,14H,9H2,(H,22,23)(H,24,25)/t14-/m1/s1.

What are the key properties of 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid?

4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid has a molecular weight of 367.40 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(7R)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid is sourced from PubChem (CID 94086361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).