4-(chloromethyl)-2,6-dimethylpyridine

• ChemBase ID: 798893
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: n1c(cc(cc1C)CCl)C
• Canonical SMILES: ClCc1cc(C)nc(c1)C
• InChI: InChI=1S/C8H10ClN/c1-6-3-8(5-9)4-7(2)10-6/h3-4H,5H2,1-2H3
• InChIKey: HHJGMXMMZDNOOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-2,6-dimethylpyridine
• IUPAC Traditional name: 4-(chloromethyl)-2,6-dimethylpyridine
• Synonyms: 4-(chloromethyl)-2,6-dimethylpyridine

Database IDs

• CAS Number: 120739-87-9; 198973-09-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.64639
• LogD (pH = 7.4): 1.5590241
• Log P: 1.6055558
• Molar Refractivity: 42.951 cm^3
• Polarizability: 16.61158 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%