5-(2-Aminopyrimidin-4-yl)-2-(2-chloro-5-fluorophenyl)-1H-pyrrole-3-carboxylic acid

• Catalog: OFC951784171
• CAS: 951784-17-1
• Category: Fluorinated Pyrimidines
• Purity: 97%

• IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-(2-chloro-5-fluorophenyl)-1H-pyrrole-3-carboxylic acid
• InChI: InChI=1S/C15H10ClFN4O2/c16-10-2-1-7(17)5-8(10)13-9(14(22)23)6-12(20-13)11-3-4-19-15(18)21-11/h1-6,20H,(H,22,23)(H2,18,19,21)
• InChI Key: LNDYRFSOKNPXSQ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C(C=C1F)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)O)Cl

• Molecular Formula: C15H10ClFN4O2
• Molecular Weight: 332.72

• XLogP3-AA: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 332.0476314 g/mol
• Monoisotopic Mass: 332.0476314 g/mol
• Topological Polar Surface Area: 105Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 444