2-methoxy-6-(3-nitrophenyl)pyridine

• ChemBase ID: 290798
• Molecular Formular: C12H10N2O3
• Molecular Mass: 230.2194
• Monoisotopic Mass: 230.06914219
• SMILES: O=[N+](c1cc(c2cccc(OC)n2)ccc1)[O-]
• Canonical SMILES: COc1cccc(n1)c1cccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C12H10N2O3/c1-17-12-7-3-6-11(13-12)9-4-2-5-10(8-9)14(15)16/h2-8H,1H3
• InChIKey: ZWRIZAWLCBNRDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-(3-nitrophenyl)pyridine
• IUPAC Traditional name: 2-methoxy-6-(3-nitrophenyl)pyridine
• Synonyms: 2-Methoxy-6-(3-nitrophenyl)pyridine

Database IDs

• CAS Number: 1313359-04-4
• PubChem SID: 180676329
• PubChem CID: 53328277

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.165243
• LogD (pH = 7.4): 3.1654172
• Log P: 3.1654196
• Molar Refractivity: 61.7625 cm^3
• Polarizability: 24.754332 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%