6-chloro-4-fluoropyridine-2-carbaldehyde

• ChemBase ID: 815149
• Molecular Formular: C6H3ClFNO
• Molecular Mass: 159.5455232
• Monoisotopic Mass: 158.98871962
• SMILES: c1(cc(nc(c1)C=O)Cl)F
• Canonical SMILES: O=Cc1cc(F)cc(n1)Cl
• InChI: InChI=1S/C6H3ClFNO/c7-6-2-4(8)1-5(3-10)9-6/h1-3H
• InChIKey: CQXAHBNBPCCUNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-fluoropyridine-2-carbaldehyde
• IUPAC Traditional name: 6-chloro-4-fluoropyridine-2-carbaldehyde
• Synonyms: 6-chloro-4-fluoropicolinaldehyde

Database IDs

• CAS Number: 614752-51-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1095424
• LogD (pH = 7.4): 2.1095426
• Log P: 2.1095426
• Molar Refractivity: 36.1824 cm^3
• Polarizability: 13.108026 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%