1-(4-methylpyridin-3-yl)ethan-1-ol

• ChemBase ID: 246477
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(c(ccnc1)C)C(O)C
• Canonical SMILES: CC(c1cnccc1C)O
• InChI: InChI=1S/C8H11NO/c1-6-3-4-9-5-8(6)7(2)10/h3-5,7,10H,1-2H3
• InChIKey: JPXXWXQJFKRYQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylpyridin-3-yl)ethan-1-ol
• IUPAC Traditional name: 1-(4-methylpyridin-3-yl)ethanol
• Synonyms: 1-(4-methylpyridin-3-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD21740226
• PubChem SID: 164302387
• PubChem CID: 66273307

CALCULATED PROPERTIES

• Acid pKa: 14.551734
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6494972
• LogD (pH = 7.4): 0.9130608
• Log P: 0.91822004
• Molar Refractivity: 40.177 cm^3
• Polarizability: 15.486987 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.365

Product Information

• Purity: 95%