4-chloro-5-phenylpyrimidine

• ChemBase ID: 240914
• Molecular Formular: C10H7ClN2
• Molecular Mass: 190.62898
• Monoisotopic Mass: 190.02977591
• SMILES: c1(c(ncnc1)Cl)c1ccccc1
• Canonical SMILES: Clc1ncncc1c1ccccc1
• InChI: InChI=1S/C10H7ClN2/c11-10-9(6-12-7-13-10)8-4-2-1-3-5-8/h1-7H
• InChIKey: RKDLCPYEVZVXGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-phenylpyrimidine
• IUPAC Traditional name: 4-chloro-5-phenylpyrimidine
• Synonyms: 4-chloro-5-phenylpyrimidine

Database IDs

• MDL Number: MFCD00234602
• PubChem SID: 164296824
• PubChem CID: 2755772

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5211568
• LogD (pH = 7.4): 2.5211823
• Log P: 2.5211828
• Molar Refractivity: 53.7246 cm^3
• Polarizability: 21.44307 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.077

Product Information

• Purity: 95%