5-chloro-2-ethoxy-3-nitropyridine

• ChemBase ID: 75815
• Molecular Formular: C7H7ClN2O3
• Molecular Mass: 202.59508
• Monoisotopic Mass: 202.01451977
• SMILES: n1c(c(cc(c1)Cl)[N+](=O)[O-])OCC
• Canonical SMILES: CCOc1ncc(cc1[N+](=O)[O-])Cl
• InChI: InChI=1S/C7H7ClN2O3/c1-2-13-7-6(10(11)12)3-5(8)4-9-7/h3-4H,2H2,1H3
• InChIKey: ZYBDCRAUJIDTDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-ethoxy-3-nitropyridine
• IUPAC Traditional name: 5-chloro-2-ethoxy-3-nitropyridine
• Synonyms: 5-Chloro-2-ethoxy-3-nitropyridine

Database IDs

• CAS Number: 886373-32-6
• MDL Number: MFCD07375033
• PubChem SID: 162040733
• PubChem CID: 26370216

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0931964
• LogD (pH = 7.4): 2.0931964
• Log P: 2.0931964
• Molar Refractivity: 46.5517 cm^3
• Polarizability: 17.714497 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%