3-fluoro-2-methoxy-5-nitropyridine

• ChemBase ID: 289060
• Molecular Formular: C6H5FN2O3
• Molecular Mass: 172.1139032
• Monoisotopic Mass: 172.02842025
• SMILES: COc1ncc(cc1F)[N+](=O)[O-]
• Canonical SMILES: COc1ncc(cc1F)[N+](=O)[O-]
• InChI: InChI=1S/C6H5FN2O3/c1-12-6-5(7)2-4(3-8-6)9(10)11/h2-3H,1H3
• InChIKey: MFNDIYBLZYOOQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1279814-95-7
• MDL Number: MFCD20277891
• PubChem SID: 180674591
• PubChem CID: 70700322

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: 13.765605 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%