5,6-dichloropyridine-3-carbonyl chloride

• ChemBase ID: 84510
• Molecular Formular: C6H2Cl3NO
• Molecular Mass: 210.44518
• Monoisotopic Mass: 208.92019673
• SMILES: n1c(c(cc(c1)C(=O)Cl)Cl)Cl
• Canonical SMILES: ClC(=O)c1cnc(c(c1)Cl)Cl
• InChI: InChI=1S/C6H2Cl3NO/c7-4-1-3(6(9)11)2-10-5(4)8/h1-2H
• InChIKey: NZEAAWXZOUGYCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dichloropyridine-3-carbonyl chloride
• IUPAC Traditional name: 5,6-dichloropyridine-3-carbonyl chloride
• Synonyms: 5,6-Dichloropyridine-3-carbonyl chloride

Database IDs

• MDL Number: MFCD00052837
• PubChem SID: 162071626
• PubChem CID: 2782156

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3747525
• LogD (pH = 7.4): 2.3747525
• Log P: 2.3747525
• Molar Refractivity: 45.6867 cm^3
• Polarizability: 17.249405 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive