3-(2-chloro-4-fluorophenyl)-5-methylpyridin-2-amine

• ChemBase ID: 713082
• Molecular Formular: C12H10ClFN2
• Molecular Mass: 236.6726032
• Monoisotopic Mass: 236.05165423
• SMILES: c1(c2c(cc(cc2)F)Cl)c(ncc(c1)C)N
• Canonical SMILES: Fc1ccc(c(c1)Cl)c1cc(C)cnc1N
• InChI: InChI=1S/C12H10ClFN2/c1-7-4-10(12(15)16-6-7)9-3-2-8(14)5-11(9)13/h2-6H,1H3,(H2,15,16)
• InChIKey: GDXGZAPSLVPOSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chloro-4-fluorophenyl)-5-methylpyridin-2-amine
• IUPAC Traditional name: 3-(2-chloro-4-fluorophenyl)-5-methylpyridin-2-amine
• Synonyms: 3-(2-chloro-4-fluorophenyl)-5-methylpyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3159273
• LogD (pH = 7.4): 3.3320665
• Log P: 3.4284983
• Molar Refractivity: 64.1136 cm^3
• Polarizability: 24.802896 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: 3.34
• LOG S: -3.78
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1