Ethyl 7-fluoro-4-hydroxy-6-iodoquinoline-3-carboxylate

• Catalog: OFC1171925771
• CAS: 1171925-77-1
• Category: Fluorinated Quinolines
• MDL Number: MFCD12922925

• IUPAC Name: ethyl 7-fluoro-6-iodo-4-oxo-1H-quinoline-3-carboxylate
• InChI: InChI=1S/C12H9FINO3/c1-2-18-12(17)7-5-15-10-4-8(13)9(14)3-6(10)11(7)16/h3-5H,2H2,1H3,(H,15,16)
• InChI Key: XTUPCNKXKUDPMB-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)I)F

• Molecular Formula: C12H9FINO3
• Molecular Weight: 361.11

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 360.96112 g/mol
• Monoisotopic Mass: 360.96112 g/mol
• Topological Polar Surface Area: 55.4Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 399