6-chloro-2-ethyl-3-methylpyridine

• ChemBase ID: 309787
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: n1c(c(ccc1Cl)C)CC
• Canonical SMILES: CCc1nc(Cl)ccc1C
• InChI: InChI=1S/C8H10ClN/c1-3-7-6(2)4-5-8(9)10-7/h4-5H,3H2,1-2H3
• InChIKey: HOCVXGVYRUXDCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-ethyl-3-methylpyridine
• IUPAC Traditional name: 6-chloro-2-ethyl-3-methylpyridine
• Synonyms: 6-chloro-2-ethyl-3-methylpyridine

Database IDs

• MDL Number: MFCD19982759

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9249563
• LogD (pH = 7.4): 2.9251206
• Log P: 2.9251227
• Molar Refractivity: 44.0268 cm^3
• Polarizability: 16.721342 Å^3
• Polar Surface Area: 12.89 Å^2