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

• ChemBase ID: 814110
• Molecular Formular: C6H4ClF3N2
• Molecular Mass: 196.5575696
• Monoisotopic Mass: 196.00151048
• SMILES: n1c(cc(cc1C(F)(F)F)Cl)N
• Canonical SMILES: Clc1cc(N)nc(c1)C(F)(F)F
• InChI: InChI=1S/C6H4ClF3N2/c7-3-1-4(6(8,9)10)12-5(11)2-3/h1-2H,(H2,11,12)
• InChIKey: YGQHTGQCEBDIDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 117519-06-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3886929
• LogD (pH = 7.4): 2.3888464
• Log P: 2.3888485
• Molar Refractivity: 39.3215 cm^3
• Polarizability: 13.916398 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%