2-bromo-5-(pyrrolidin-2-yl)pyridine

• ChemBase ID: 801365
• Molecular Formular: C9H11BrN2
• Molecular Mass: 227.10104
• Monoisotopic Mass: 226.01056036
• SMILES: n1c(ccc(c1)C1NCCC1)Br
• Canonical SMILES: Brc1ccc(cn1)C1CCCN1
• InChI: InChI=1S/C9H11BrN2/c10-9-4-3-7(6-12-9)8-2-1-5-11-8/h3-4,6,8,11H,1-2,5H2
• InChIKey: HFHUQKSKYTXHOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(pyrrolidin-2-yl)pyridine
• IUPAC Traditional name: 2-bromo-5-(pyrrolidin-2-yl)pyridine
• Synonyms: 2-BROMO-5-PYRROLIDIN-2-YLPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4710591
• LogD (pH = 7.4): -0.8646511
• Log P: 1.7537614
• Molar Refractivity: 52.8253 cm^3
• Polarizability: 20.404133 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%