3,5-dichloro-2-methylpyridine

• ChemBase ID: 292600
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: Cc1ncc(Cl)cc1Cl
• Canonical SMILES: Clc1cnc(c(c1)Cl)C
• InChI: InChI=1S/C6H5Cl2N/c1-4-6(8)2-5(7)3-9-4/h2-3H,1H3
• InChIKey: FPTUCCXFFWYEOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-2-methylpyridine
• IUPAC Traditional name: 3,5-dichloro-2-methylpyridine
• Synonyms: 3,5-Dichloro-2-methylpyridine

Database IDs

• CAS Number: 100868-45-9
• PubChem SID: 180678131
• PubChem CID: 22734343

CALCULATED PROPERTIES

• LogD (pH = 5.5): 2.094777
• LogD (pH = 7.4): 2.0950296
• Log P: 2.095033
• Molar Refractivity: 38.1022 cm^3
• Polarizability: 15.008853 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0

PROPERTIES

Product Information

• Purity: 95+%