1-(pyridin-3-yl)propan-2-ol

• ChemBase ID: 247135
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: n1cc(CC(O)C)ccc1
• Canonical SMILES: CC(Cc1cccnc1)O
• InChI: InChI=1S/C8H11NO/c1-7(10)5-8-3-2-4-9-6-8/h2-4,6-7,10H,5H2,1H3
• InChIKey: ZZGYMHSITKCXJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-3-yl)propan-2-ol
• IUPAC Traditional name: 1-(pyridin-3-yl)propan-2-ol
• Synonyms: 1-(pyridin-3-yl)propan-2-ol

Database IDs

• MDL Number: MFCD16786236
• PubChem SID: 164303045
• PubChem CID: 62553063

CALCULATED PROPERTIES

• Acid pKa: 15.489321
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4596667
• LogD (pH = 7.4): 0.6892366
• Log P: 0.69345987
• Molar Refractivity: 39.8908 cm^3
• Polarizability: 15.4924 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.145

Product Information

• Purity: 95%