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

• ChemBase ID: 267023
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: n1c(C(C(C)C)O)cccc1
• Canonical SMILES: CC(C(c1ccccn1)O)C
• InChI: InChI=1S/C9H13NO/c1-7(2)9(11)8-5-3-4-6-10-8/h3-7,9,11H,1-2H3
• InChIKey: CWQKDQOZSPOCRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12153509
• PubChem SID: 164322933
• PubChem CID: 15785876

CALCULATED PROPERTIES

• Acid pKa: 13.574043
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4765261
• LogD (pH = 7.4): 1.5252932
• Log P: 1.525955
• Molar Refractivity: 43.6843 cm^3
• Polarizability: 17.410393 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.844

Product Information

• Purity: 95%