2,5-dichloro-4-methylpyridine

• ChemBase ID: 807323
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: n1c(cc(c(c1)Cl)C)Cl
• Canonical SMILES: Clc1ncc(c(c1)C)Cl
• InChI: InChI=1S/C6H5Cl2N/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
• InChIKey: KGQACOJSDXKHTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-4-methylpyridine
• IUPAC Traditional name: 2,5-dichloro-4-methylpyridine
• Synonyms: 2,5-DICHLORO-4-METHYLPYRIDINE

Database IDs

• CAS Number: 886365-00-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6972592
• LogD (pH = 7.4): 2.6972613
• Log P: 2.6972613
• Molar Refractivity: 39.6132 cm^3
• Polarizability: 15.050159 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%