2,3,5-trichloro-4-methylpyridine

• ChemBase ID: 291283
• Molecular Formular: C6H4Cl3N
• Molecular Mass: 196.46166
• Monoisotopic Mass: 194.94093217
• SMILES: Cc1c(Cl)c(Cl)ncc1Cl
• Canonical SMILES: Clc1cnc(c(c1C)Cl)Cl
• InChI: InChI=1S/C6H4Cl3N/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3
• InChIKey: QQRMKPWLEIQRSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trichloro-4-methylpyridine
• IUPAC Traditional name: 2,3,5-trichloro-4-methylpyridine
• Synonyms: 2,3,5-Trichloro-4-methylpyridine

Database IDs

• CAS Number: 53939-29-0
• MDL Number: MFCD20529523
• PubChem SID: 180676814
• PubChem CID: 104652

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.301306
• LogD (pH = 7.4): 3.301306
• Log P: 3.301306
• Molar Refractivity: 44.418 cm^3
• Polarizability: 17.046688 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%