4-methoxy-2-phenylpyridine

• ChemBase ID: 290835
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: COc1cc(c2ccccc2)ncc1
• Canonical SMILES: COc1ccnc(c1)c1ccccc1
• InChI: InChI=1S/C12H11NO/c1-14-11-7-8-13-12(9-11)10-5-3-2-4-6-10/h2-9H,1H3
• InChIKey: OXUCGUHGNJQWMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-2-phenylpyridine
• IUPAC Traditional name: 4-methoxy-2-phenylpyridine
• Synonyms: 4-Methoxy-2-phenylpyridine

Database IDs

• CAS Number: 53698-56-9
• PubChem SID: 180676366
• PubChem CID: 46315027

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.114247
• LogD (pH = 7.4): 2.6175573
• Log P: 2.6309779
• Molar Refractivity: 55.1285 cm^3
• Polarizability: 22.975872 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%