5-bromo-6-(trifluoromethyl)pyridin-2-amine

• ChemBase ID: 68197
• Molecular Formular: C6H4BrF3N2
• Molecular Mass: 241.0085696
• Monoisotopic Mass: 239.9509948
• SMILES: Nc1ccc(c(n1)C(F)(F)F)Br
• Canonical SMILES: Nc1ccc(c(n1)C(F)(F)F)Br
• InChI: InChI=1S/C6H4BrF3N2/c7-3-1-2-4(11)12-5(3)6(8,9)10/h1-2H,(H2,11,12)
• InChIKey: DNDAEASRGBLZCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: 5-bromo-6-(trifluoromethyl)pyridin-2-amine
• Synonyms: 5-Bromo-6-trifluoromethylpyridin-2-ylamine; 5-Bromo-6-(trifluoromethyl)pyridin-2-amine

Database IDs

• CAS Number: 882500-21-2
• MDL Number: MFCD11848010
• PubChem SID: 162033929
• PubChem CID: 45789790

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5535257
• LogD (pH = 7.4): 2.553556
• Log P: 2.5535564
• Molar Refractivity: 42.1395 cm^3
• Polarizability: 15.121014 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%