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

• ChemBase ID: 814647
• Molecular Formular: C6H4ClF3N2
• Molecular Mass: 196.5575696
• Monoisotopic Mass: 196.00151048
• SMILES: n1c(cc(cc1C(F)(F)F)N)Cl
• Canonical SMILES: Nc1cc(Cl)nc(c1)C(F)(F)F
• InChI: InChI=1S/C6H4ClF3N2/c7-5-2-3(11)1-4(12-5)6(8,9)10/h1-2H,(H2,11,12)
• InChIKey: MXOHYUGYDQGRGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 34486-22-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.014536
• LogD (pH = 7.4): 2.0145676
• Log P: 2.014568
• Molar Refractivity: 40.0693 cm^3
• Polarizability: 13.962516 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%