4,6-bis(trifluoromethyl)pyridin-2-amine

• ChemBase ID: 815897
• Molecular Formular: C7H4F6N2
• Molecular Mass: 230.1104792
• Monoisotopic Mass: 230.02786746
• SMILES: n1c(cc(cc1C(F)(F)F)C(F)(F)F)N
• Canonical SMILES: Nc1cc(cc(n1)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C7H4F6N2/c8-6(9,10)3-1-4(7(11,12)13)15-5(14)2-3/h1-2H,(H2,14,15)
• InChIKey: JLFVZLNEALJLLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-bis(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: 4,6-bis(trifluoromethyl)pyridin-2-amine
• Synonyms: 4,6-BIS(TRIFLUOROMETHYL)PYRIDIN-2-AMINE

Database IDs

• CAS Number: 112110-08-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.661729
• LogD (pH = 7.4): 2.6626406
• Log P: 2.6626523
• Molar Refractivity: 40.4904 cm^3
• Polarizability: 13.672391 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%