6-bromo-N-cyclobutylpyridin-2-amine

• ChemBase ID: 804099
• Molecular Formular: C9H11BrN2
• Molecular Mass: 227.10104
• Monoisotopic Mass: 226.01056036
• SMILES: n1c(cccc1NC1CCC1)Br
• Canonical SMILES: Brc1cccc(n1)NC1CCC1
• InChI: InChI=1S/C9H11BrN2/c10-8-5-2-6-9(12-8)11-7-3-1-4-7/h2,5-7H,1,3-4H2,(H,11,12)
• InChIKey: HQIRPBQCZQIHKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N-cyclobutylpyridin-2-amine
• IUPAC Traditional name: 6-bromo-N-cyclobutylpyridin-2-amine
• Synonyms: 2-BROMO-6-(CYCLOBUTYLAMINO)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7058828
• LogD (pH = 7.4): 2.7072
• Log P: 2.707217
• Molar Refractivity: 54.6856 cm^3
• Polarizability: 20.050123 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%