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

• ChemBase ID: 346579
• Molecular Formular: C11H8ClFN2
• Molecular Mass: 222.6460232
• Monoisotopic Mass: 222.03600417
• SMILES: c1(c2nc(N)ccc2)c(cc(cc1)F)Cl
• Canonical SMILES: Fc1ccc(c(c1)Cl)c1cccc(n1)N
• InChI: InChI=1S/C11H8ClFN2/c12-9-6-7(13)4-5-8(9)10-2-1-3-11(14)15-10/h1-6H,(H2,14,15)
• InChIKey: XHSBJNHPLNCCLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.949538
• LogD (pH = 7.4): 3.2940748
• Log P: 3.3009272
• Molar Refractivity: 58.7004 cm^3
• Polarizability: 23.045858 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.06
• LOG S: -3.43
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1