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

• ChemBase ID: 309251
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: n1c(C(C)C)cccc1O
• Canonical SMILES: Oc1cccc(n1)C(C)C
• InChI: InChI=1S/C8H11NO/c1-6(2)7-4-3-5-8(10)9-7/h3-6H,1-2H3,(H,9,10)
• InChIKey: XNDNTUOEUNAQAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(propan-2-yl)pyridin-2-ol
• IUPAC Traditional name: 6-isopropylpyridin-2-ol
• Synonyms: 6-isopropyl-2-pyridinol

Database IDs

• CAS Number: 62969-85-1
• MDL Number: MFCD11876342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.421354
• LogD (pH = 7.4): 2.4213426
• Log P: 2.4213579
• Molar Refractivity: 39.9884 cm^3
• Polarizability: 15.482349 Å^3
• Polar Surface Area: 33.12 Å^2