(5-ethylpyridin-2-yl)methanol

• ChemBase ID: 307122
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: n1c(ccc(c1)CC)CO
• Canonical SMILES: CCc1ccc(nc1)CO
• InChI: InChI=1S/C8H11NO/c1-2-7-3-4-8(6-10)9-5-7/h3-5,10H,2,6H2,1H3
• InChIKey: LIRQOUKPZWQBRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-ethylpyridin-2-yl)methanol
• IUPAC Traditional name: (5-ethylpyridin-2-yl)methanol
• Synonyms: (5-ethylpyridin-2-yl)methanol

Database IDs

• CAS Number: 768-61-6
• MDL Number: MFCD08059843

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.87224793
• LogD (pH = 7.4): 1.0253019
• Log P: 1.0276855
• Molar Refractivity: 39.837 cm^3
• Polarizability: 15.489028 Å^3
• Polar Surface Area: 33.12 Å^2