4-chloro-3-ethoxypyridine

• ChemBase ID: 292734
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: CCOc1c(Cl)ccnc1
• Canonical SMILES: CCOc1cnccc1Cl
• InChI: InChI=1S/C7H8ClNO/c1-2-10-7-5-9-4-3-6(7)8/h3-5H,2H2,1H3
• InChIKey: OOTIJHTUKGQRHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-ethoxypyridine
• IUPAC Traditional name: 4-chloro-3-ethoxypyridine
• Synonyms: 4-Chloro-3-ethoxypyridine

Database IDs

• CAS Number: 1003711-81-6
• PubChem SID: 180678265
• PubChem CID: 23436941

CALCULATED PROPERTIES

• Molar Refractivity: 39.9177 cm^3
• Polarizability: 15.698823 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5477035
• LogD (pH = 7.4): 1.5586134
• Log P: 1.5587548

PROPERTIES

Product Information

• Purity: 95+%