[6-(propan-2-yl)pyridin-2-yl]methanol

• ChemBase ID: 238509
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: n1c(C(C)C)cccc1CO
• Canonical SMILES: OCc1cccc(n1)C(C)C
• InChI: InChI=1S/C9H13NO/c1-7(2)9-5-3-4-8(6-11)10-9/h3-5,7,11H,6H2,1-2H3
• InChIKey: BBJLWUHYWOHHFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(propan-2-yl)pyridin-2-yl]methanol
• IUPAC Traditional name: (6-isopropylpyridin-2-yl)methanol
• Synonyms: [6-(propan-2-yl)pyridin-2-yl]methanol

Database IDs

• MDL Number: MFCD18802459
• PubChem SID: 164294419
• PubChem CID: 21874757

CALCULATED PROPERTIES

• Acid pKa: 14.247774
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3121347
• LogD (pH = 7.4): 1.442634
• Log P: 1.4445878
• Molar Refractivity: 43.9877 cm^3
• Polarizability: 17.332047 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.484

Product Information

• Purity: 95%