2-butoxy-5-nitropyridine

• ChemBase ID: 108294
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: CCCCOc1ccc(cn1)[N+](=O)[O-]
• Canonical SMILES: CCCCOc1ccc(cn1)[N+](=O)[O-]
• InChI: InChI=1S/C9H12N2O3/c1-2-3-6-14-9-5-4-8(7-10-9)11(12)13/h4-5,7H,2-3,6H2,1H3
• InChIKey: GEMGCBQSLUFODV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxy-5-nitropyridine
• IUPAC Traditional name: 2-butoxy-5-nitropyridine
• Synonyms: 2-n-BUTOXY-5-NITRO PYRIDINE

Database IDs

• CAS Number: 6627-95-8
• PubChem SID: 162094030
• PubChem CID: 246773

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4562428
• LogD (pH = 7.4): 2.4562428
• Log P: 2.4562428
• Molar Refractivity: 51.8761 cm^3
• Polarizability: 19.386671 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206842

MP Biomedicals Rare Chemical collection