4,6-dichloro-2-(4-fluorophenyl)pyrimidine

• ChemBase ID: 243282
• Molecular Formular: C10H5Cl2FN2
• Molecular Mass: 243.0645032
• Monoisotopic Mass: 241.98138175
• SMILES: c1(nc(cc(n1)Cl)Cl)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1nc(Cl)cc(n1)Cl
• InChI: InChI=1S/C10H5Cl2FN2/c11-8-5-9(12)15-10(14-8)6-1-3-7(13)4-2-6/h1-5H
• InChIKey: YMNNLJCYQPKHEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-2-(4-fluorophenyl)pyrimidine
• IUPAC Traditional name: 4,6-dichloro-2-(4-fluorophenyl)pyrimidine
• Synonyms: 4,6-dichloro-2-(4-fluorophenyl)pyrimidine

Database IDs

• MDL Number: MFCD11218526
• PubChem SID: 164299192
• PubChem CID: 53440049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2602086
• LogD (pH = 7.4): 4.2602086
• Log P: 4.2602086
• Molar Refractivity: 70.082 cm^3
• Polarizability: 22.413527 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.408

Product Information

• Purity: 95%