2-chloro-3-ethoxypyridine

• ChemBase ID: 116755
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: c1(ncccc1OCC)Cl
• Canonical SMILES: CCOc1cccnc1Cl
• InChI: InChI=1S/C7H8ClNO/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
• InChIKey: VJDYDIGWWLACKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-ethoxypyridine
• IUPAC Traditional name: 2-chloro-3-ethoxypyridine
• Synonyms: 2-Chloro-3-ethoxypyridine

Database IDs

• CAS Number: 63756-58-1
• MDL Number: MFCD16653099
• PubChem SID: 162102104
• PubChem CID: 12293475

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7789148
• LogD (pH = 7.4): 1.7789317
• Log P: 1.778932
• Molar Refractivity: 40.979 cm^3
• Polarizability: 15.7562275 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.966

Product Information

• Purity: 95+%