(6-phenylpyridin-3-yl)methanol

• ChemBase ID: 66002
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: n1c(c2ccccc2)ccc(c1)CO
• Canonical SMILES: OCc1ccc(nc1)c1ccccc1
• InChI: InChI=1S/C12H11NO/c14-9-10-6-7-12(13-8-10)11-4-2-1-3-5-11/h1-8,14H,9H2
• InChIKey: RXXIVABOKBNIEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-phenylpyridin-3-yl)methanol
• IUPAC Traditional name: (6-phenylpyridin-3-yl)methanol
• Synonyms: (6-Phenylpyridin-3-yl)methanol; (6-phenyl-3-pyridinyl)methanol

Database IDs

• CAS Number: 4634-09-7
• MDL Number: MFCD03086132
• PubChem SID: 162031741
• PubChem CID: 22254216

CALCULATED PROPERTIES

• Acid pKa: 14.706345
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0078228
• LogD (pH = 7.4): 2.0211267
• Log P: 2.0212994
• Molar Refractivity: 55.4812 cm^3
• Polarizability: 22.910315 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 97%