5-[6-(trifluoromethyl)pyridin-3-yl]pyridin-3-amine

• ChemBase ID: 439976
• Molecular Formular: C11H8F3N3
• Molecular Mass: 239.1965296
• Monoisotopic Mass: 239.06703193
• SMILES: C(c1ncc(c2cc(N)cnc2)cc1)(F)(F)F
• Canonical SMILES: Nc1cncc(c1)c1ccc(nc1)C(F)(F)F
• InChI: InChI=1S/C11H8F3N3/c12-11(13,14)10-2-1-7(5-17-10)8-3-9(15)6-16-4-8/h1-6H,15H2
• InChIKey: YUJPYJXLYDXCRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[6-(trifluoromethyl)pyridin-3-yl]pyridin-3-amine
• IUPAC Traditional name: 5-[6-(trifluoromethyl)pyridin-3-yl]pyridin-3-amine
• Synonyms: 6'-(trifluoromethyl)-3,3'-bipyridin-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4590948
• LogD (pH = 7.4): 1.617325
• Log P: 1.6198992
• Molar Refractivity: 57.1825 cm^3
• Polarizability: 21.640213 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.74
• LOG S: -2.43
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2