6-chloro-N-(4-fluorophenyl)pyridin-2-amine

• ChemBase ID: 50006
• Molecular Formular: C11H8ClFN2
• Molecular Mass: 222.6460232
• Monoisotopic Mass: 222.03600417
• SMILES: n1c(Nc2ccc(F)cc2)cccc1Cl
• Canonical SMILES: Fc1ccc(cc1)Nc1cccc(n1)Cl
• InChI: InChI=1S/C11H8ClFN2/c12-10-2-1-3-11(15-10)14-9-6-4-8(13)5-7-9/h1-7H,(H,14,15)
• InChIKey: XYCVTLPNALADRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(4-fluorophenyl)pyridin-2-amine
• IUPAC Traditional name: 6-chloro-N-(4-fluorophenyl)pyridin-2-amine
• Synonyms: 6-Chloro-N-(4-fluorophenyl)-2-pyridinamine

Database IDs

• MDL Number: MFCD13562822
• PubChem SID: 162054769
• PubChem CID: 11673008

CALCULATED PROPERTIES

• Acid pKa: 16.741856
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7568417
• LogD (pH = 7.4): 3.75688
• Log P: 3.7568805
• Molar Refractivity: 58.7833 cm^3
• Polarizability: 21.771238 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false