5-bromo-N-(4-fluorophenyl)pyridin-2-amine

• ChemBase ID: 50005
• Molecular Formular: C11H8BrFN2
• Molecular Mass: 267.0970232
• Monoisotopic Mass: 265.98548849
• SMILES: n1c(Nc2ccc(F)cc2)ccc(c1)Br
• Canonical SMILES: Fc1ccc(cc1)Nc1ccc(cn1)Br
• InChI: InChI=1S/C11H8BrFN2/c12-8-1-6-11(14-7-8)15-10-4-2-9(13)3-5-10/h1-7H,(H,14,15)
• InChIKey: MDIJJMBTVYKGEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-(4-fluorophenyl)pyridin-2-amine
• IUPAC Traditional name: 5-bromo-N-(4-fluorophenyl)pyridin-2-amine
• Synonyms: N-(5-Bromo-2-pyridinyl)-N-(4-fluorophenyl)amine

Database IDs

• MDL Number: MFCD13562821
• PubChem SID: 162054768
• PubChem CID: 53410724

CALCULATED PROPERTIES

• Acid pKa: 16.946064
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6959999
• LogD (pH = 7.4): 3.7013426
• Log P: 3.7014112
• Molar Refractivity: 60.54 cm^3
• Polarizability: 22.671368 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