4-ethyl-2,6-dimethylpyridin-3-ol

• ChemBase ID: 121761
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: n1c(c(c(cc1C)CC)O)C
• Canonical SMILES: CCc1cc(C)nc(c1O)C
• InChI: InChI=1S/C9H13NO/c1-4-8-5-6(2)10-7(3)9(8)11/h5,11H,4H2,1-3H3
• InChIKey: LWILVFCDCXDHGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-2,6-dimethylpyridin-3-ol
• IUPAC Traditional name: 4-ethyl-2,6-dimethylpyridin-3-ol
• Synonyms: 4-ethyl-2,6-dimethylpyridin-3-ol

Database IDs

• PubChem SID: 162216114
• PubChem CID: 915080

CALCULATED PROPERTIES

• Acid pKa: 10.430192
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.021040931
• LogD (pH = 7.4): 1.333329
• Log P: 1.6727384
• Molar Refractivity: 44.7072 cm^3
• Polarizability: 17.168201 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true