2,4-dichloro-5-(chloromethyl)pyridine

• ChemBase ID: 799123
• Molecular Formular: C6H4Cl3N
• Molecular Mass: 196.46166
• Monoisotopic Mass: 194.94093217
• SMILES: n1c(cc(c(c1)CCl)Cl)Cl
• Canonical SMILES: ClCc1cnc(cc1Cl)Cl
• InChI: InChI=1S/C6H4Cl3N/c7-2-4-3-10-6(9)1-5(4)8/h1,3H,2H2
• InChIKey: PZHIYZLLIBBPFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5-(chloromethyl)pyridine
• IUPAC Traditional name: 2,4-dichloro-5-(chloromethyl)pyridine
• Synonyms: 2,4-dichloro-5-(chloromethyl)pyridine

Database IDs

• CAS Number: 73998-96-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.771081
• LogD (pH = 7.4): 2.771082
• Log P: 2.771082
• Molar Refractivity: 44.4389 cm^3
• Polarizability: 17.02425 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%