2,4-dichloro-6-methylpyridine

• ChemBase ID: 43841
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: n1c(cc(cc1C)Cl)Cl
• Canonical SMILES: Clc1cc(C)nc(c1)Cl
• InChI: InChI=1S/C6H5Cl2N/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
• InChIKey: WUGTXQVNSRFDNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-methylpyridine
• IUPAC Traditional name: 2,4-dichloro-6-methylpyridine
• Synonyms: 2,4-Dichloro-6-picoline; 2,4-Dichloro-6-methylpyridine

Database IDs

• CAS Number: 42779-56-6
• MDL Number: MFCD08669834
• PubChem SID: 162048604
• PubChem CID: 11959083

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3152003
• LogD (pH = 7.4): 2.3152099
• Log P: 2.31521
• Molar Refractivity: 39.1635 cm^3
• Polarizability: 15.047156 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 98%