2-(2,4-difluorophenoxy)-3-nitropyridine

• ChemBase ID: 8284
• Molecular Formular: C11H6F2N2O3
• Molecular Mass: 252.1737464
• Monoisotopic Mass: 252.0346485
• SMILES: c1cnc(c(c1)[N+](=O)[O-])Oc1c(cc(cc1)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)Oc1ncccc1[N+](=O)[O-]
• InChI: InChI=1S/C11H6F2N2O3/c12-7-3-4-10(8(13)6-7)18-11-9(15(16)17)2-1-5-14-11/h1-6H
• InChIKey: WZRAMZMIQUBNMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenoxy)-3-nitropyridine
• IUPAC Traditional name: 2-(2,4-difluorophenoxy)-3-nitropyridine
• Synonyms: 2-(2,4-Difluorophenoxy)-3-nitropyridine 97%; 2-(2,4-Difluorophenoxy)-3-nitropyridine

Database IDs

• CAS Number: 175135-62-3
• MDL Number: MFCD00067800
• PubChem SID: 160971591
• PubChem CID: 2737038

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0757062
• LogD (pH = 7.4): 3.0757062
• Log P: 3.0757062
• Molar Refractivity: 57.2087 cm^3
• Polarizability: 21.20752 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63-65°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 97%