6-(3-nitrophenyl)pyridin-2-ol

• ChemBase ID: 290218
• Molecular Formular: C11H8N2O3
• Molecular Mass: 216.19282
• Monoisotopic Mass: 216.05349213
• SMILES: Oc1nc(c2cccc([N+](=O)[O-])c2)ccc1
• Canonical SMILES: Oc1cccc(n1)c1cccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C11H8N2O3/c14-11-6-2-5-10(12-11)8-3-1-4-9(7-8)13(15)16/h1-7H,(H,12,14)
• InChIKey: HQDFUSNTLWVWBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-nitrophenyl)pyridin-2-ol
• IUPAC Traditional name: 6-(3-nitrophenyl)pyridin-2-ol
• Synonyms: 6-(3-Nitrophenyl)pyridin-2-ol

Database IDs

• CAS Number: 1111110-56-5
• PubChem SID: 180675749
• PubChem CID: 53217772

CALCULATED PROPERTIES

• Acid pKa: 10.904276
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.019472
• LogD (pH = 7.4): 3.0193903
• Log P: 3.0195255
• Molar Refractivity: 57.2802 cm^3
• Polarizability: 22.841452 Å^3
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%