5-ethylpyridin-2-ol

• ChemBase ID: 293932
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: CCc1cnc(O)cc1
• Canonical SMILES: CCc1ccc(nc1)O
• InChI: InChI=1S/C7H9NO/c1-2-6-3-4-7(9)8-5-6/h3-5H,2H2,1H3,(H,8,9)
• InChIKey: ORMQFHJGBAPKHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethylpyridin-2-ol
• IUPAC Traditional name: 5-ethylpyridin-2-ol
• Synonyms: 5-Ethylpyridin-2-ol; 5-Ethyl-pyridin-2-ol

Database IDs

• CAS Number: 53428-03-8
• MDL Number: MFCD06658539
• PubChem SID: 180679463
• PubChem CID: 19365871

CALCULATED PROPERTIES

• Acid pKa: 12.097837
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0036182
• LogD (pH = 7.4): 2.0044365
• Log P: 2.0044556
• Molar Refractivity: 35.8377 cm^3
• Polarizability: 13.639748 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 96%