5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde

• ChemBase ID: 811590
• Molecular Formular: C12H7Cl2NO
• Molecular Mass: 252.09608
• Monoisotopic Mass: 250.99046921
• SMILES: n1cc(cc(c1)c1cc(cc(c1)Cl)Cl)C=O
• Canonical SMILES: O=Cc1cncc(c1)c1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C12H7Cl2NO/c13-11-2-9(3-12(14)4-11)10-1-8(7-16)5-15-6-10/h1-7H
• InChIKey: MEBVHNPIEMMWIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
• Synonyms: 5-(3,5-DICHLOROPHENYL)PYRIDINE-3-CARBALDEHYDE

CALCULATED PROPERTIES

• Log P: 3.3233905
• Molar Refractivity: 65.2309 cm^3
• Polarizability: 26.003012 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3197343
• LogD (pH = 7.4): 3.3233442

PROPERTIES

Product Information

• Purity: 98%