3,6-dichloropyridine-2-carbonyl chloride

• ChemBase ID: 88339
• Molecular Formular: C6H2Cl3NO
• Molecular Mass: 210.44518
• Monoisotopic Mass: 208.92019673
• SMILES: n1c(c(ccc1Cl)Cl)C(=O)Cl
• Canonical SMILES: Clc1ccc(c(n1)C(=O)Cl)Cl
• InChI: InChI=1S/C6H2Cl3NO/c7-3-1-2-4(8)10-5(3)6(9)11/h1-2H
• InChIKey: DYKPANQCIFHPMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloropyridine-2-carbonyl chloride
• IUPAC Traditional name: 3,6-dichloropyridine-2-carbonyl chloride
• Synonyms: 2-(Chlorocarbonyl)-3,6-dichloropyridine; 3,6-Dichloropyridine-2-carbonyl chloride

Database IDs

• PubChem SID: 162104580
• PubChem CID: 19809474

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7606027
• LogD (pH = 7.4): 2.7606027
• Log P: 2.7606027
• Molar Refractivity: 45.3147 cm^3
• Polarizability: 17.238987 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Store under Argon