[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methanol

• ChemBase ID: 100460
• Molecular Formular: C8H8F3NO
• Molecular Mass: 191.1504296
• Monoisotopic Mass: 191.05579854
• SMILES: n1c(c(ccc1C(F)(F)F)CO)C
• Canonical SMILES: OCc1ccc(nc1C)C(F)(F)F
• InChI: InChI=1S/C8H8F3NO/c1-5-6(4-13)2-3-7(12-5)8(9,10)11/h2-3,13H,4H2,1H3
• InChIKey: PXDNFCWBWHATSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-methyl-6-(trifluoromethyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [2-methyl-6-(trifluoromethyl)pyridin-3-yl]methanol
• Synonyms: [2-Methyl-6-(trifluoromethyl)pyridin-3-yl]methanol 97%; 2-METHYL-6-(TRIFLUOROMETHYL)PYRIDINE-3-METHANOL

Database IDs

• CAS Number: 113265-44-4
• MDL Number: MFCD03407989
• PubChem SID: 162086473
• PubChem CID: 2760122

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.677672
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3831974
• LogD (pH = 7.4): 1.3832914
• Log P: 1.3832926
• Molar Refractivity: 40.9102 cm^3
• Polarizability: 14.937258 Å^3
• Polar Surface Area: 33.12 Å^2

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 98%