5-chloro-3-ethoxy-2-methoxypyridine

• ChemBase ID: 290597
• Molecular Formular: C8H10ClNO2
• Molecular Mass: 187.6235
• Monoisotopic Mass: 187.04000625
• SMILES: COc1ncc(Cl)cc1OCC
• Canonical SMILES: CCOc1cc(Cl)cnc1OC
• InChI: InChI=1S/C8H10ClNO2/c1-3-12-7-4-6(9)5-10-8(7)11-2/h4-5H,3H2,1-2H3
• InChIKey: BLNYKLDTGCZLRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1221793-67-4
• PubChem SID: 180676128
• PubChem CID: 53217397

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9955324
• LogD (pH = 7.4): 1.9955409
• Log P: 1.995541
• Molar Refractivity: 46.6944 cm^3
• Polarizability: 18.240686 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%