6-(4-methylphenyl)pyridin-2-ol

• ChemBase ID: 290847
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: Oc1nc(c2ccc(C)cc2)ccc1
• Canonical SMILES: Cc1ccc(cc1)c1cccc(n1)O
• InChI: InChI=1S/C12H11NO/c1-9-5-7-10(8-6-9)11-3-2-4-12(14)13-11/h2-8H,1H3,(H,13,14)
• InChIKey: VKNQQUHTPUVQJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methylphenyl)pyridin-2-ol
• IUPAC Traditional name: 6-(4-methylphenyl)pyridin-2-ol
• Synonyms: 6-(p-Tolyl)pyridin-2-ol

Database IDs

• CAS Number: 129720-57-6
• PubChem SID: 180676378
• PubChem CID: 3799430

CALCULATED PROPERTIES

• Acid pKa: 11.677412
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5928578
• LogD (pH = 7.4): 3.5929387
• Log P: 3.5929627
• Molar Refractivity: 56.0009 cm^3
• Polarizability: 22.821781 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%