tetrachloropyridine-2-carbonyl chloride

• ChemBase ID: 121798
• Molecular Formular: C6Cl5NO
• Molecular Mass: 279.3353
• Monoisotopic Mass: 276.84225203
• SMILES: c1(nc(c(c(c1Cl)Cl)Cl)Cl)C(=O)Cl
• Canonical SMILES: ClC(=O)c1nc(Cl)c(c(c1Cl)Cl)Cl
• InChI: InChI=1S/C6Cl5NO/c7-1-2(8)4(6(11)13)12-5(10)3(1)9
• InChIKey: RPBUWNXYNYVENO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrachloropyridine-2-carbonyl chloride
• IUPAC Traditional name: tetrachloropyridine-2-carbonyl chloride
• Synonyms: 3,4,5,6-tetrachloropicolinoyl chloride

Database IDs

• PubChem SID: 162216151
• PubChem CID: 4914679

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.968692
• LogD (pH = 7.4): 3.968692
• Log P: 3.968692
• Molar Refractivity: 54.9243 cm^3
• Polarizability: 21.326769 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true