2-bromo-6-(pyrrolidin-2-yl)pyridine

• ChemBase ID: 801436
• Molecular Formular: C9H11BrN2
• Molecular Mass: 227.10104
• Monoisotopic Mass: 226.01056036
• SMILES: n1c(cccc1C1NCCC1)Br
• Canonical SMILES: Brc1cccc(n1)C1CCCN1
• InChI: InChI=1S/C9H11BrN2/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1,3,5,7,11H,2,4,6H2
• InChIKey: OXMSTXNPMORHBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(pyrrolidin-2-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(pyrrolidin-2-yl)pyridine
• Synonyms: 2-BROMO-6-PYRROLIDIN-2-YLPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1578271
• LogD (pH = 7.4): 0.059408274
• Log P: 1.9874225
• Molar Refractivity: 52.3782 cm^3
• Polarizability: 20.405027 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%