5-chloro-2-fluoropyridine-3-carbaldehyde

• ChemBase ID: 164296
• Molecular Formular: C6H3ClFNO
• Molecular Mass: 159.5455232
• Monoisotopic Mass: 158.98871962
• SMILES: c1(cnc(c(c1)C=O)F)Cl
• Canonical SMILES: O=Cc1cc(Cl)cnc1F
• InChI: InChI=1S/C6H3ClFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
• InChIKey: OAGTZGCJLKCEEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-fluoropyridine-3-carbaldehyde
• IUPAC Traditional name: 5-chloro-2-fluoropyridine-3-carbaldehyde
• Synonyms: 5-Chloro-2-fluoropyridine-3-carboxaldehyde; 5-Chloro-2-fluoronicotinaldehyde

Database IDs

• CAS Number: 882679-90-5
• PubChem SID: 162258431
• PubChem CID: 40427005

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.608753
• LogD (pH = 7.4): 1.608753
• Log P: 1.608753
• Molar Refractivity: 36.521 cm^3
• Polarizability: 13.057153 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%

DETAILS

Toronto Research Chemicals - C366445

Used in the preparation of trisubstituted amine compounds as CETP inhibitors useful in the treatment of arteriosclerotic diseases, hyperlipemia, dyslipidemia and related diseases.