5-bromo-2-(4-fluorophenyl)pyrimidine

• ChemBase ID: 803616
• Molecular Formular: C10H6BrFN2
• Molecular Mass: 253.0704432
• Monoisotopic Mass: 251.96983842
• SMILES: c1(cnc(nc1)c1ccc(cc1)F)Br
• Canonical SMILES: Fc1ccc(cc1)c1ncc(cn1)Br
• InChI: InChI=1S/C10H6BrFN2/c11-8-5-13-10(14-6-8)7-1-3-9(12)4-2-7/h1-6H
• InChIKey: FACORCJZLZSBFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(4-fluorophenyl)pyrimidine
• IUPAC Traditional name: 5-bromo-2-(4-fluorophenyl)pyrimidine
• Synonyms: 5-BROMO-2-(4-FLUOROPHENYL)PYRIMIDINE

Database IDs

• CAS Number: 183437-94-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3167691
• LogD (pH = 7.4): 3.3167787
• Log P: 3.3167787
• Molar Refractivity: 65.9726 cm^3
• Polarizability: 21.313713 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%