2-(benzyloxy)-4-nitropyridine

• ChemBase ID: 292568
• Molecular Formular: C12H10N2O3
• Molecular Mass: 230.2194
• Monoisotopic Mass: 230.06914219
• SMILES: [O-][N+](=O)c1cc(OCc2ccccc2)ncc1
• Canonical SMILES: [O-][N+](=O)c1ccnc(c1)OCc1ccccc1
• InChI: InChI=1S/C12H10N2O3/c15-14(16)11-6-7-13-12(8-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: FMPKDECCGQGBNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-4-nitropyridine
• IUPAC Traditional name: 2-(benzyloxy)-4-nitropyridine
• Synonyms: 2-(Benzyloxy)-4-nitropyridine

Database IDs

• CAS Number: 1194041-65-0
• PubChem SID: 180678099
• PubChem CID: 70701028

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8568168
• LogD (pH = 7.4): 2.856817
• Log P: 2.856817
• Molar Refractivity: 61.6109 cm^3
• Polarizability: 23.418297 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%