5-bromo-4-(trifluoromethyl)pyridin-2-amine hydrobromide

• ChemBase ID: 53902
• Molecular Formular: C6H5Br2F3N2
• Molecular Mass: 321.9205096
• Monoisotopic Mass: 319.87715683
• SMILES: c1(cnc(cc1C(F)(F)F)N)Br.Br
• Canonical SMILES: Nc1ncc(c(c1)C(F)(F)F)Br.Br
• InChI: InChI=1S/C6H4BrF3N2.BrH/c7-4-2-12-5(11)1-3(4)6(8,9)10;/h1-2H,(H2,11,12);1H
• InChIKey: LLPJQMQEEGCMQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-(trifluoromethyl)pyridin-2-amine hydrobromide
• IUPAC Traditional name: 5-bromo-4-(trifluoromethyl)pyridin-2-amine hydrobromide
• Synonyms: 5-Bromo-4-trifluoromethyl-pyridin-2-ylamine hydrobromide

Database IDs

• MDL Number: MFCD15142768
• PubChem SID: 162058665
• PubChem CID: 56832312

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1060667
• LogD (pH = 7.4): 2.166869
• Log P: 2.167706
• Molar Refractivity: 42.5115 cm^3
• Polarizability: 15.1174755 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+%