2-chloro-6-(2,2,2-trifluoroethoxy)pyridin-4-amine

• ChemBase ID: 797428
• Molecular Formular: C7H6ClF3N2O
• Molecular Mass: 226.5835496
• Monoisotopic Mass: 226.01207516
• SMILES: n1c(cc(cc1OCC(F)(F)F)N)Cl
• Canonical SMILES: Nc1cc(OCC(F)(F)F)nc(c1)Cl
• InChI: InChI=1S/C7H6ClF3N2O/c8-5-1-4(12)2-6(13-5)14-3-7(9,10)11/h1-2H,3H2,(H2,12,13)
• InChIKey: MHIAQRHELCOCTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(2,2,2-trifluoroethoxy)pyridin-4-amine
• IUPAC Traditional name: 2-chloro-6-(2,2,2-trifluoroethoxy)pyridin-4-amine
• Synonyms: 2-Chloro-6-(2,2,2-trifluoroethoxy)pyridin-4-aMine

Database IDs

• CAS Number: 1346809-43-5

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 2.1417446
• LogD (pH = 7.4): 2.142739
• Log P: 2.1427517
• Molar Refractivity: 46.6944 cm^3
• Polarizability: 16.535646 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 19.825487
• H Acceptors: 3

PROPERTIES

Product Information

• Purity: 97%