5-chloro-3-nitro-2-propoxypyridine

• ChemBase ID: 807278
• Molecular Formular: C8H9ClN2O3
• Molecular Mass: 216.62166
• Monoisotopic Mass: 216.03016984
• SMILES: n1c(c(cc(c1)Cl)[N+](=O)[O-])OCCC
• Canonical SMILES: CCCOc1ncc(cc1[N+](=O)[O-])Cl
• InChI: InChI=1S/C8H9ClN2O3/c1-2-3-14-8-7(11(12)13)4-6(9)5-10-8/h4-5H,2-3H2,1H3
• InChIKey: FXBCHVPAZGFQSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-nitro-2-propoxypyridine
• IUPAC Traditional name: 5-chloro-3-nitro-2-propoxypyridine
• Synonyms: 5-CHLORO-3-NITRO-2-PROPOXY-PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6157188
• LogD (pH = 7.4): 2.6157188
• Log P: 2.6157188
• Molar Refractivity: 51.0757 cm^3
• Polarizability: 19.527401 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%