3,6-dichloro-2-methylpyridine

• ChemBase ID: 289535
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: Cc1nc(Cl)ccc1Cl
• Canonical SMILES: Clc1ccc(c(n1)C)Cl
• InChI: InChI=1S/C6H5Cl2N/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3
• InChIKey: SXDFGRKJVDBFML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloro-2-methylpyridine
• IUPAC Traditional name: 3,6-dichloro-2-methylpyridine
• Synonyms: 3,6-Dichloro-2-methylpyridine

Database IDs

• CAS Number: 123280-64-8
• MDL Number: MFCD00778766
• PubChem SID: 180675066
• PubChem CID: 919320

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3152082
• LogD (pH = 7.4): 2.31521
• Log P: 2.31521
• Molar Refractivity: 39.1635 cm^3
• Polarizability: 15.050388 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%