2-iodo-6-(trifluoromethyl)pyridin-3-amine

• ChemBase ID: 798853
• Molecular Formular: C6H4F3IN2
• Molecular Mass: 288.0090396
• Monoisotopic Mass: 287.9371308
• SMILES: n1c(c(ccc1C(F)(F)F)N)I
• Canonical SMILES: Nc1ccc(nc1I)C(F)(F)F
• InChI: InChI=1S/C6H4F3IN2/c7-6(8,9)4-2-1-3(11)5(10)12-4/h1-2H,11H2
• InChIKey: PGLQPMZEWVGHHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-6-(trifluoromethyl)pyridin-3-amine
• IUPAC Traditional name: 2-iodo-6-(trifluoromethyl)pyridin-3-amine
• Synonyms: 2-iodo-6-(trifluoromethyl)pyridin-3-amine

Database IDs

• CAS Number: 920979-04-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1518784
• LogD (pH = 7.4): 2.1518784
• Log P: 2.1518784
• Molar Refractivity: 47.2738 cm^3
• Polarizability: 17.587343 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%