[4-(pyridin-2-yl)phenyl]methanol

• ChemBase ID: 92515
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: n1c(cccc1)c1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C12H11NO/c14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-8,14H,9H2
• InChIKey: BESAKUXOHCFPAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(pyridin-2-yl)phenyl]methanol
• IUPAC Traditional name: [4-(pyridin-2-yl)phenyl]methanol
• Synonyms: (4-pyrid-2-ylphenyl)methanol; 4-(2-Pyridinyl)benzenemethanol; 4-((Pyridine-2-yl)phenyl)methanol; 4-(2-Pyridinyl)benzyl Alcohol; (4-Pyridin-2-ylphenyl)methanol 97%

Database IDs

• CAS Number: 98061-39-3
• MDL Number: MFCD04116292
• PubChem SID: 162079213
• PubChem CID: 1515239

CALCULATED PROPERTIES

• Acid pKa: 14.948873
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9876138
• LogD (pH = 7.4): 2.0208573
• Log P: 2.0212994
• Molar Refractivity: 55.4812 cm^3
• Polarizability: 22.909794 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49-51°C

Safety Information

• Storage Warning: Toxic/Harmful/Irritant

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - P992175

A phenylpyridine derivative used in the preparation of metal complexes as well as an intermediate in organic synthesis.

REFERENCES

• Niedermair, F. et al.: Inorg. Chim. Acta, 360, 2767 (2007)