2-chloro-4-ethylpyridine

• ChemBase ID: 164234
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: c1(ccnc(c1)Cl)CC
• Canonical SMILES: CCc1ccnc(c1)Cl
• InChI: InChI=1S/C7H8ClN/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3
• InChIKey: WCZPTMALUBBXRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-ethylpyridine
• IUPAC Traditional name: 2-chloro-4-ethylpyridine
• Synonyms: 2-Chloro-4-ethyl-pyridine; 2-Chloro-4-ethylpyridine

Database IDs

• CAS Number: 40325-11-9
• PubChem SID: 162258369
• PubChem CID: 3653473

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5376947
• LogD (pH = 7.4): 2.537784
• Log P: 2.5377853
• Molar Refractivity: 39.4094 cm^3
• Polarizability: 14.9595785 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ether; Ethyl Acetate
• Apperance: Colorless Liquid

Safety Information

• Storage Condition: Refrigerator