2,6-bis(4-methylphenyl)pyridine

• ChemBase ID: 295976
• Molecular Formular: C19H17N
• Molecular Mass: 259.34498
• Monoisotopic Mass: 259.13609955
• SMILES: Cc1ccc(cc1)c1cccc(n1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)c1cccc(n1)c1ccc(cc1)C
• InChI: InChI=1S/C19H17N/c1-14-6-10-16(11-7-14)18-4-3-5-19(20-18)17-12-8-15(2)9-13-17/h3-13H,1-2H3
• InChIKey: BLRYHCTZTSRBNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis(4-methylphenyl)pyridine
• IUPAC Traditional name: 2,6-bis(4-methylphenyl)pyridine
• Synonyms: 2,6-Bis(p-tolyl)pyridine; 2,6-双(对-甲基苯)吡啶

Database IDs

• CAS Number: 14435-88-2
• EC Number: 238-409-3
• MDL Number: MFCD00006282
• PubChem SID: 180681507
• PubChem CID: 84435

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.8381047
• LogD (pH = 7.4): 5.848434
• Log P: 5.8485675
• Molar Refractivity: 83.5119 cm^3
• Polarizability: 35.197292 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 164-166°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%