1-(pyridin-2-yl)ethan-1-ol

• ChemBase ID: 73529
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: n1ccccc1C(O)C
• Canonical SMILES: CC(c1ccccn1)O
• InChI: InChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3
• InChIKey: PPHIIIRFJKDTLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(pyridin-2-yl)ethanol
• Synonyms: 1-(Pyridin-2-yl)ethanol; 1-(pyridin-2-yl)ethan-1-ol; 1-(Pyridin-2-yl)ethan-1-ol; 2-(1-Hydroxyethyl)pyridine

Database IDs

• CAS Number: 18728-61-5
• MDL Number: MFCD06245419
• PubChem SID: 162038448
• PubChem CID: 86784

CALCULATED PROPERTIES

• Acid pKa: 14.08754
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5874003
• LogD (pH = 7.4): 0.637775
• Log P: 0.63845974
• Molar Refractivity: 34.6887 cm^3
• Polarizability: 13.724094 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.084

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 95+%; 98%