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

• Catalog: OFC1065094009
• CAS: 1065094-00-9
• Category: Fluorinated Quinolines
• Synonyms: 3-Quinolinecarboxylic acid, 8-fluoro-4-hydroxy-5-methyl-
• MDL Number: MFCD28010423

• IUPAC Name: 8-fluoro-5-methyl-4-oxo-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C11H8FNO3/c1-5-2-3-7(12)9-8(5)10(14)6(4-13-9)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
• InChI Key: XQHNMRCTIJXQPU-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C2C(=C(C=C1)F)NC=C(C2=O)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