2,6-dichloro-3-methylpyridine

• ChemBase ID: 70800
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: c1(c(ccc(n1)Cl)C)Cl
• Canonical SMILES: Clc1ccc(c(n1)Cl)C
• InChI: InChI=1S/C6H5Cl2N/c1-4-2-3-5(7)9-6(4)8/h2-3H,1H3
• InChIKey: KNIKCOPEHZTQJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58584-94-4
• MDL Number: MFCD00137847
• PubChem SID: 162036510
• PubChem CID: 817088

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9174385
• LogD (pH = 7.4): 2.9174385
• Log P: 2.9174385
• Molar Refractivity: 40.6745 cm^3
• Polarizability: 15.0990925 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54-56°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%