2,3,5-trichloropyridine-4-carbaldehyde

• ChemBase ID: 67114
• Molecular Formular: C6H2Cl3NO
• Molecular Mass: 210.44518
• Monoisotopic Mass: 208.92019673
• SMILES: c1(c(c(c(cn1)Cl)C=O)Cl)Cl
• Canonical SMILES: O=Cc1c(Cl)cnc(c1Cl)Cl
• InChI: InChI=1S/C6H2Cl3NO/c7-4-1-10-6(9)5(8)3(4)2-11/h1-2H
• InChIKey: RZNIINCSHCFUNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trichloropyridine-4-carbaldehyde
• IUPAC Traditional name: 2,3,5-trichloropyridine-4-carbaldehyde
• Synonyms: 2,3,5-Trichloropyridine-4-carbaldehyde

Database IDs

• CAS Number: 251997-31-6
• MDL Number: MFCD06410668
• PubChem SID: 162032850
• PubChem CID: 2762979

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.500387
• LogD (pH = 7.4): 2.500387
• Log P: 2.500387
• Molar Refractivity: 45.9608 cm^3
• Polarizability: 17.300323 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%