2,4-dichloro-6-(trifluoromethyl)pyridin-3-amine

• ChemBase ID: 815411
• Molecular Formular: C6H3Cl2F3N2
• Molecular Mass: 231.0026296
• Monoisotopic Mass: 229.96253813
• SMILES: n1c(c(c(cc1C(F)(F)F)Cl)N)Cl
• Canonical SMILES: Clc1cc(nc(c1N)Cl)C(F)(F)F
• InChI: InChI=1S/C6H3Cl2F3N2/c7-2-1-3(6(9,10)11)13-5(8)4(2)12/h1H,12H2
• InChIKey: KITFADCMNYDCFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-(trifluoromethyl)pyridin-3-amine
• IUPAC Traditional name: 2,4-dichloro-6-(trifluoromethyl)pyridin-3-amine
• Synonyms: 2,4-dichloro-6-(trifluoromethyl)pyridin-3-amine

Database IDs

• CAS Number: 1060815-21-5

CALCULATED PROPERTIES

• Molar Refractivity: 44.8741 cm^3
• Polarizability: 15.996048 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6186128
• LogD (pH = 7.4): 2.6186128
• Log P: 2.6186128

PROPERTIES

Product Information

• Purity: 98%