5-chloro-2-phenylpyrimidine

• ChemBase ID: 798842
• Molecular Formular: C10H7ClN2
• Molecular Mass: 190.62898
• Monoisotopic Mass: 190.02977591
• SMILES: c1(cnc(nc1)c1ccccc1)Cl
• Canonical SMILES: Clc1cnc(nc1)c1ccccc1
• InChI: InChI=1S/C10H7ClN2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7H
• InChIKey: IPRQXVCEBSOQIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-phenylpyrimidine
• IUPAC Traditional name: 5-chloro-2-phenylpyrimidine
• Synonyms: 5-chloro-2-phenyl-pyrimidine

Database IDs

• CAS Number: 34771-50-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9622445
• LogD (pH = 7.4): 2.9622505
• Log P: 2.9622505
• Molar Refractivity: 62.9382 cm^3
• Polarizability: 20.70631 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%