2-(Pyridin-2-yl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid

• Catalog: OFC874816101
• CAS: 874816-10-1
• Category: Fluorinated Pyrimidines
• Synonyms: 2-(Pyridin-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• MDL Number: MFCD06200983

• IUPAC Name: 2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• InChI: InChI=1S/C11H6F3N3O2/c12-11(13,14)8-6(10(18)19)5-16-9(17-8)7-3-1-2-4-15-7/h1-5H,(H,18,19)
• InChI Key: YUBDBOSNEOIDLU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=NC(=C1)C2=NC=C(C(=N2)C(F)(F)F)C(=O)O

• Molecular Formula: C11H6F3N3O2
• Molecular Weight: 269.18
• Melting Point: 224-226 °C

• XLogP3-AA: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 269.04121093 g/mol
• Monoisotopic Mass: 269.04121093 g/mol
• Topological Polar Surface Area: 76Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 338