5-chloro-6-fluoropyridine-2-carbaldehyde

• ChemBase ID: 801203
• Molecular Formular: C6H3ClFNO
• Molecular Mass: 159.5455232
• Monoisotopic Mass: 158.98871962
• SMILES: c1c(c(nc(c1)C=O)F)Cl
• Canonical SMILES: O=Cc1ccc(c(n1)F)Cl
• InChI: InChI=1S/C6H3ClFNO/c7-5-2-1-4(3-10)9-6(5)8/h1-3H
• InChIKey: CETBYZPUSFOLRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-6-fluoropyridine-2-carbaldehyde
• IUPAC Traditional name: 5-chloro-6-fluoropyridine-2-carbaldehyde
• Synonyms: 5-CHLORO-6-FLUOROPICOLINALDEHYDE

Database IDs

• CAS Number: 1227583-98-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.283296
• LogD (pH = 7.4): 2.283296
• Log P: 2.283296
• Molar Refractivity: 36.1358 cm^3
• Polarizability: 13.087742 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%