4-(Trifluoromethyl)pyrimidine-5-carboxylic acid

• Catalog: OFC220880126
• CAS: 220880-12-6
• Category: Fluorinated Pyrimidines
• Synonyms: 5-Pyrimidinecarboxylic acid, 4-(trifluoromethyl)-
• MDL Number: MFCD11106713

• IUPAC Name: 4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• InChI: InChI=1S/C6H3F3N2O2/c7-6(8,9)4-3(5(12)13)1-10-2-11-4/h1-2H,(H,12,13)
• InChI Key: OQHVVOYDDRBQRI-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C(=NC=N1)C(F)(F)F)C(=O)O

• Molecular Formula: C6H3F3N2O2
• Molecular Weight: 192.10

• XLogP3-AA: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 192.01466183 g/mol
• Monoisotopic Mass: 192.01466183 g/mol
• Topological Polar Surface Area: 63.1Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 207