2-Morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

• Catalog: OFC873450238
• CAS: 873450-23-8
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD13188015

• IUPAC Name: 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• InChI: InChI=1S/C10H10F3N3O3/c11-10(12,13)7-6(8(17)18)5-14-9(15-7)16-1-3-19-4-2-16/h5H,1-4H2,(H,17,18)
• InChI Key: QIWOWAMUXJGBCK-UHFFFAOYSA-N
• Isomeric SMILES: C1COCCN1C2=NC=C(C(=N2)C(F)(F)F)C(=O)O

• Molecular Formula: C10H10F3N3O3
• Molecular Weight: 277.20

• XLogP3-AA: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 277.06742568 g/mol
• Monoisotopic Mass: 277.06742568 g/mol
• Topological Polar Surface Area: 75.6Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 334