2,4,5-trichloropyridine

• ChemBase ID: 290165
• Molecular Formular: C5H2Cl3N
• Molecular Mass: 182.43508
• Monoisotopic Mass: 180.92528211
• SMILES: Clc1cnc(Cl)cc1Cl
• Canonical SMILES: Clc1ncc(c(c1)Cl)Cl
• InChI: InChI=1S/C5H2Cl3N/c6-3-1-5(8)9-2-4(3)7/h1-2H
• InChIKey: ZJKMPIAMSJCNFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,5-trichloropyridine
• IUPAC Traditional name: 2,4,5-trichloropyridine
• Synonyms: 2,4,5-Trichloropyridine

Database IDs

• CAS Number: 55934-01-5
• MDL Number: MFCD09028037
• PubChem SID: 180675696
• PubChem CID: 21829168

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7878845
• LogD (pH = 7.4): 2.7878847
• Log P: 2.7878847
• Molar Refractivity: 39.3768 cm^3
• Polarizability: 15.296237 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%