2,3,5-trichloropyridine-4-carbonyl chloride

• ChemBase ID: 50971
• Molecular Formular: C6HCl4NO
• Molecular Mass: 244.89024
• Monoisotopic Mass: 242.88122438
• SMILES: c1(c(c(ncc1Cl)Cl)Cl)C(=O)Cl
• Canonical SMILES: Clc1ncc(c(c1Cl)C(=O)Cl)Cl
• InChI: InChI=1S/C6HCl4NO/c7-2-1-11-5(9)4(8)3(2)6(10)12/h1H
• InChIKey: ODLHIOFZIWQERB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trichloropyridine-4-carbonyl chloride
• IUPAC Traditional name: 2,3,5-trichloropyridine-4-carbonyl chloride
• Synonyms: 2,3,5-Trichloropyridine-4-carbonyl chloride; 4-(Chlorocarbonyl)-2,3,5-trichloropyridine; 2,3,5-Trichloroisonicotinoyl chloride

Database IDs

• MDL Number: MFCD14584797
• PubChem SID: 162055734
• PubChem CID: 50853153

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9787972
• LogD (pH = 7.4): 2.9787972
• Log P: 2.9787972
• Molar Refractivity: 50.4915 cm^3
• Polarizability: 19.278719 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Condition: Store under N2 at -18°C
• Storage Warning: Corrosive/Harmful/Air Sensitive/Moisture Sensitive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%