4-(pyridin-4-yl)phenol

• ChemBase ID: 292987
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: Oc1ccc(cc1)c1ccncc1
• Canonical SMILES: Oc1ccc(cc1)c1ccncc1
• InChI: InChI=1S/C11H9NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-8,13H
• InChIKey: DANMQSWQAGVFKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-4-yl)phenol
• IUPAC Traditional name: 4-(pyridin-4-yl)phenol
• Synonyms: 4-(Pyridin-4-yl)phenol

Database IDs

• CAS Number: 77409-99-5
• PubChem SID: 180678518
• PubChem CID: 10012347

CALCULATED PROPERTIES

• Acid pKa: 9.839184
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.948582
• LogD (pH = 7.4): 2.0952911
• Log P: 2.0992334
• Molar Refractivity: 51.0182 cm^3
• Polarizability: 21.046556 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%