2-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine

• ChemBase ID: 290839
• Molecular Formular: C13H10F3NO
• Molecular Mass: 253.2198096
• Monoisotopic Mass: 253.07144861
• SMILES: FC(c1ccc(c2cccc(OC)n2)cc1)(F)F
• Canonical SMILES: COc1cccc(n1)c1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C13H10F3NO/c1-18-12-4-2-3-11(17-12)9-5-7-10(8-6-9)13(14,15)16/h2-8H,1H3
• InChIKey: QLUISBKTHWCQPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine
• IUPAC Traditional name: 2-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine
• Synonyms: 2-Methoxy-6-(4-(trifluoromethyl)phenyl)pyridine

Database IDs

• CAS Number: 1202026-99-0
• PubChem SID: 180676370
• PubChem CID: 54758829

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.102987
• LogD (pH = 7.4): 4.10328
• Log P: 4.103284
• Molar Refractivity: 61.4157 cm^3
• Polarizability: 23.866604 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%