2-(3-nitrophenoxy)pyridine

• ChemBase ID: 78604
• Molecular Formular: C11H8N2O3
• Molecular Mass: 216.19282
• Monoisotopic Mass: 216.05349213
• SMILES: n1c(cccc1)Oc1cccc(c1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cccc(c1)Oc1ccccn1
• InChI: InChI=1S/C11H8N2O3/c14-13(15)9-4-3-5-10(8-9)16-11-6-1-2-7-12-11/h1-8H
• InChIKey: CYAZJQRAXUNGCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-nitrophenoxy)pyridine
• IUPAC Traditional name: 2-(3-nitrophenoxy)pyridine
• Synonyms: 2-(3-Nitrophenoxy)pyridine 97+%

Database IDs

• CAS Number: 28355-48-8
• MDL Number: MFCD08690283
• PubChem SID: 162043367
• PubChem CID: 18525839

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7901857
• LogD (pH = 7.4): 2.7903008
• Log P: 2.7903023
• Molar Refractivity: 57.7801 cm^3
• Polarizability: 21.638372 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93-95°C

Safety Information

• Storage Warning: Harmful