2-(chloromethyl)-5-ethylpyridine

• ChemBase ID: 802151
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: n1c(ccc(c1)CC)CCl
• Canonical SMILES: CCc1ccc(nc1)CCl
• InChI: InChI=1S/C8H10ClN/c1-2-7-3-4-8(5-9)10-6-7/h3-4,6H,2,5H2,1H3
• InChIKey: RFQANNQGIYHMHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-5-ethylpyridine
• IUPAC Traditional name: 2-(chloromethyl)-5-ethylpyridine
• Synonyms: 2-(CHLOROMETHYL)-5-ETHYLPYRIDINE

Database IDs

• CAS Number: 10447-76-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3333952
• LogD (pH = 7.4): 2.3816237
• Log P: 2.3822775
• Molar Refractivity: 42.888 cm^3
• Polarizability: 16.688025 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%