2-(furan-2-ylmethoxy)-5-nitropyridine

• ChemBase ID: 257359
• Molecular Formular: C10H8N2O4
• Molecular Mass: 220.18152
• Monoisotopic Mass: 220.04840675
• SMILES: [N+](=O)(c1cnc(OCc2occc2)cc1)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1)OCc1ccco1
• InChI: InChI=1S/C10H8N2O4/c13-12(14)8-3-4-10(11-6-8)16-7-9-2-1-5-15-9/h1-6H,7H2
• InChIKey: DQTSFYSTYVVZHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-ylmethoxy)-5-nitropyridine
• IUPAC Traditional name: 2-(furan-2-ylmethoxy)-5-nitropyridine
• Synonyms: 2-(2-furylmethoxy)-5-nitropyridine

Database IDs

• MDL Number: MFCD10698962
• PubChem SID: 164313269
• PubChem CID: 39870023

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9170636
• LogD (pH = 7.4): 1.9170636
• Log P: 1.9170636
• Molar Refractivity: 55.006 cm^3
• Polarizability: 20.377304 Å^3
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87 - 89°C
• Hydrophobicity(logP): 1.878

Product Information

• Purity: 95%