4-methyl-6-(propan-2-yl)pyridin-2-ol

• ChemBase ID: 815640
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: n1c(cc(cc1C(C)C)C)O
• Canonical SMILES: Cc1cc(nc(c1)O)C(C)C
• InChI: InChI=1S/C9H13NO/c1-6(2)8-4-7(3)5-9(11)10-8/h4-6H,1-3H3,(H,10,11)
• InChIKey: DJDFJASMOVFERV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-6-(propan-2-yl)pyridin-2-ol
• IUPAC Traditional name: 6-isopropyl-4-methylpyridin-2-ol
• Synonyms: 6-isopropyl-4-methylpyridin-2-ol

Database IDs

• CAS Number: 56062-03-4

CALCULATED PROPERTIES

• Acid pKa: 11.967537
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.934768
• LogD (pH = 7.4): 2.9347675
• Log P: 2.9347792
• Molar Refractivity: 45.0296 cm^3
• Polarizability: 17.246557 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%