2-chloro-4-ethoxypyridine

• ChemBase ID: 799265
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: n1c(cc(cc1)OCC)Cl
• Canonical SMILES: CCOc1ccnc(c1)Cl
• InChI: InChI=1S/C7H8ClNO/c1-2-10-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3
• InChIKey: OFHQTZYEMRJMCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-ethoxypyridine
• IUPAC Traditional name: 2-chloro-4-ethoxypyridine
• Synonyms: 2-chloro-4-ethoxypyridine

Database IDs

• CAS Number: 52311-50-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7784245
• LogD (pH = 7.4): 1.7789255
• Log P: 1.778932
• Molar Refractivity: 40.979 cm^3
• Polarizability: 15.736962 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%