2,4,6-trichloropyridine-3-carbaldehyde

• ChemBase ID: 796675
• Molecular Formular: C6H2Cl3NO
• Molecular Mass: 210.44518
• Monoisotopic Mass: 208.92019673
• SMILES: c1(c(c(nc(c1)Cl)Cl)C=O)Cl
• Canonical SMILES: O=Cc1c(Cl)cc(nc1Cl)Cl
• InChI: InChI=1S/C6H2Cl3NO/c7-4-1-5(8)10-6(9)3(4)2-11/h1-2H
• InChIKey: RESMQRUOHBZJCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trichloropyridine-3-carbaldehyde
• IUPAC Traditional name: 2,4,6-trichloropyridine-3-carbaldehyde
• Synonyms: 2,4,6-Trichloronicotinaldehyde

Database IDs

• CAS Number: 1261269-66-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7205641
• LogD (pH = 7.4): 2.7205641
• Log P: 2.7205641
• Molar Refractivity: 47.0221 cm^3
• Polarizability: 17.31614 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%