6-(chloromethyl)-2,3-dimethylpyridine

• ChemBase ID: 802785
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: n1c(c(ccc1CCl)C)C
• Canonical SMILES: ClCc1ccc(c(n1)C)C
• InChI: InChI=1S/C8H10ClN/c1-6-3-4-8(5-9)10-7(6)2/h3-4H,5H2,1-2H3
• InChIKey: YQXBFJCQDUWQAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(chloromethyl)-2,3-dimethylpyridine
• IUPAC Traditional name: 6-(chloromethyl)-2,3-dimethylpyridine
• Synonyms: 6-(CHLOROMETHYL)-2,3-DIMETHYL-PYRIDINE

Database IDs

• CAS Number: 1056641-22-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8573381
• LogD (pH = 7.4): 2.065631
• Log P: 2.069079
• Molar Refractivity: 42.8785 cm^3
• Polarizability: 16.612783 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%