2-methoxy-6-(trifluoromethyl)pyridine

• ChemBase ID: 288195
• Molecular Formular: C7H6F3NO
• Molecular Mass: 177.1238496
• Monoisotopic Mass: 177.04014848
• SMILES: FC(c1cccc(OC)n1)(F)F
• Canonical SMILES: COc1cccc(n1)C(F)(F)F
• InChI: InChI=1S/C7H6F3NO/c1-12-6-4-2-3-5(11-6)7(8,9)10/h2-4H,1H3
• InChIKey: VBEYJZVICNLLDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-methoxy-6-(trifluoromethyl)pyridine
• Synonyms: 2-Methoxy-6-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 34486-18-5
• MDL Number: MFCD12026108
• PubChem SID: 180673726
• PubChem CID: 46739474

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4560583
• LogD (pH = 7.4): 2.4560585
• Log P: 2.4560585
• Molar Refractivity: 36.2795 cm^3
• Polarizability: 13.281553 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%