2-chloro-5-phenylpyrimidine

• ChemBase ID: 294251
• Molecular Formular: C10H7ClN2
• Molecular Mass: 190.62898
• Monoisotopic Mass: 190.02977591
• SMILES: Clc1ncc(c2ccccc2)cn1
• Canonical SMILES: Clc1ncc(cn1)c1ccccc1
• InChI: InChI=1S/C10H7ClN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-7H
• InChIKey: JJNIWMPNOFGQEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-phenylpyrimidine
• IUPAC Traditional name: 2-chloro-5-phenylpyrimidine
• Synonyms: 2-Chloro-5-phenylpyrimidine; 2-CHLORO-5-PHENYL-PYRIMIDINE

Database IDs

• CAS Number: 22536-62-5
• PubChem SID: 180679782
• PubChem CID: 605320

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6055112
• LogD (pH = 7.4): 2.6055112
• Log P: 2.6055112
• Molar Refractivity: 53.3571 cm^3
• Polarizability: 21.497065 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%