2,5-dichloro-3-methylpyridine

• ChemBase ID: 87755
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: n1c(c(cc(c1)Cl)C)Cl
• Canonical SMILES: Clc1cnc(c(c1)C)Cl
• InChI: InChI=1S/C6H5Cl2N/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
• InChIKey: HZOPYQZRWCJGDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 59782-88-6; 29241-62-3
• MDL Number: MFCD03840754
• PubChem SID: 162074795
• PubChem CID: 643276

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6972606
• LogD (pH = 7.4): 2.6972613
• Log P: 2.6972613
• Molar Refractivity: 39.6132 cm^3
• Polarizability: 15.051331 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%