2-(4-nitrophenyl)pyridine

• ChemBase ID: 291356
• Molecular Formular: C11H8N2O2
• Molecular Mass: 200.19342
• Monoisotopic Mass: 200.05857751
• SMILES: O=[N+](c1ccc(c2ncccc2)cc1)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C11H8N2O2/c14-13(15)10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8H
• InChIKey: FNLTWLXKZQWUJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-nitrophenyl)pyridine
• IUPAC Traditional name: 2-(4-nitrophenyl)pyridine
• Synonyms: 2-(4-Nitrophenyl)pyridine

Database IDs

• CAS Number: 4282-47-7
• MDL Number: MFCD00092760
• PubChem SID: 180676887
• PubChem CID: 459556

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.711732
• LogD (pH = 7.4): 2.728416
• Log P: 2.7286332
• Molar Refractivity: 54.9858 cm^3
• Polarizability: 22.238592 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%