tetrachloropyridine-4-carbonyl chloride

• ChemBase ID: 90972
• Molecular Formular: C6Cl5NO
• Molecular Mass: 279.3353
• Monoisotopic Mass: 276.84225203
• SMILES: n1c(c(c(c(c1Cl)Cl)C(=O)Cl)Cl)Cl
• Canonical SMILES: Clc1nc(Cl)c(c(c1Cl)C(=O)Cl)Cl
• InChI: InChI=1S/C6Cl5NO/c7-2-1(6(11)13)3(8)5(10)12-4(2)9
• InChIKey: YCPPFYPZHCXHDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrachloropyridine-4-carbonyl chloride
• IUPAC Traditional name: tetrachloropyridine-4-carbonyl chloride
• Synonyms: 2,3,5,6-Tetrachloroisonicotinoyl chloride; 2,3,5,6-Tetrachloropyridinecarbonyl chloride 95%

Database IDs

• MDL Number: MFCD08235235
• PubChem SID: 162077676
• PubChem CID: 19809470

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.803019
• LogD (pH = 7.4): 3.803019
• Log P: 3.803019
• Molar Refractivity: 56.3576 cm^3
• Polarizability: 21.35619 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true