2-(3-methylpyridin-2-yl)ethan-1-ol

• ChemBase ID: 309411
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: n1c(c(C)ccc1)CCO
• Canonical SMILES: OCCc1ncccc1C
• InChI: InChI=1S/C8H11NO/c1-7-3-2-5-9-8(7)4-6-10/h2-3,5,10H,4,6H2,1H3
• InChIKey: LNJRCXUOOQZWRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylpyridin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(3-methylpyridin-2-yl)ethanol
• Synonyms: 2-(3-methyl-2-pyridinyl)ethanol

Database IDs

• CAS Number: 4723-26-6
• MDL Number: MFCD06637708

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.4071887
• LogD (pH = 7.4): 0.8110146
• Log P: 0.82012963
• Molar Refractivity: 39.9354 cm^3
• Polarizability: 15.415942 Å^3
• Polar Surface Area: 33.12 Å^2
• H Acceptors: 2
• H Donor: 1