2-chloro-3-ethylpyridine

• ChemBase ID: 309152
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: c1(ncccc1CC)Cl
• Canonical SMILES: CCc1cccnc1Cl
• InChI: InChI=1S/C7H8ClN/c1-2-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
• InChIKey: WRWTXYCFRFIOEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-ethylpyridine
• IUPAC Traditional name: 2-chloro-3-ethylpyridine
• Synonyms: 2-chloro-3-ethylpyridine

Database IDs

• CAS Number: 96440-05-0
• MDL Number: MFCD09959713

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5377316
• LogD (pH = 7.4): 2.5377846
• Log P: 2.5377853
• Molar Refractivity: 39.4094 cm^3
• Polarizability: 14.960677 Å^3
• Polar Surface Area: 12.89 Å^2