5-fluoro-2-methoxy-3-nitropyridine

• ChemBase ID: 292364
• Molecular Formular: C6H5FN2O3
• Molecular Mass: 172.1139032
• Monoisotopic Mass: 172.02842025
• SMILES: COc1ncc(F)cc1[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(F)cnc1OC
• InChI: InChI=1S/C6H5FN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3
• InChIKey: AUTWTMWCSZVKJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methoxy-3-nitropyridine
• IUPAC Traditional name: 5-fluoro-2-methoxy-3-nitropyridine
• Synonyms: 5-Fluoro-2-methoxy-3-nitropyridine

Database IDs

• CAS Number: 1211534-27-8
• PubChem SID: 180677895
• PubChem CID: 70699502

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2750458
• LogD (pH = 7.4): 1.2750458
• Log P: 1.2750458
• Molar Refractivity: 37.2147 cm^3
• Polarizability: 13.768505 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%