5-Fluoro-4-hydroxy-8-methylquinoline-3-carboxylic acid

• Catalog: OFC1065093993
• CAS: 1065093-99-3
• Category: Fluorinated Quinolines
• Synonyms: 5-Fluoro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• MDL Number: MFCD19685524

• IUPAC Name: 5-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C11H8FNO3/c1-5-2-3-7(12)8-9(5)13-4-6(10(8)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
• InChI Key: PWMVAHBNGWGLNC-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C2C(=C(C=C1)F)C(=O)C(=CN2)C(=O)O

• Molecular Formula: C11H8FNO3
• Molecular Weight: 221.18

• XLogP3-AA: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 221.04882128 g/mol
• Monoisotopic Mass: 221.04882128 g/mol
• Topological Polar Surface Area: 66.4Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 366