2,3,5-trichloro-6-methylpyridine

• ChemBase ID: 291284
• Molecular Formular: C6H4Cl3N
• Molecular Mass: 196.46166
• Monoisotopic Mass: 194.94093217
• SMILES: Cc1c(Cl)cc(Cl)c(Cl)n1
• Canonical SMILES: Clc1cc(Cl)c(nc1C)Cl
• InChI: InChI=1S/C6H4Cl3N/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3
• InChIKey: ZJHCKQCUYPAKOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trichloro-6-methylpyridine
• IUPAC Traditional name: 2,3,5-trichloro-6-methylpyridine
• Synonyms: 2,3,5-Trichloro-6-methylpyridine

Database IDs

• CAS Number: 22109-56-4
• MDL Number: MFCD18783195
• PubChem SID: 180676815
• PubChem CID: 11019808

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9192548
• LogD (pH = 7.4): 2.9192548
• Log P: 2.9192548
• Molar Refractivity: 43.9683 cm^3
• Polarizability: 17.044285 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%