2-bromo-4-(pyrrolidin-3-yl)pyridine

• ChemBase ID: 802835
• Molecular Formular: C9H11BrN2
• Molecular Mass: 227.10104
• Monoisotopic Mass: 226.01056036
• SMILES: n1c(cc(cc1)C1CNCC1)Br
• Canonical SMILES: Brc1nccc(c1)C1CNCC1
• InChI: InChI=1S/C9H11BrN2/c10-9-5-7(2-4-12-9)8-1-3-11-6-8/h2,4-5,8,11H,1,3,6H2
• InChIKey: YZZJENGLGSZDTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-(pyrrolidin-3-yl)pyridine
• IUPAC Traditional name: 2-bromo-4-(pyrrolidin-3-yl)pyridine
• Synonyms: 2-BROMO-4-(PYRROLIDIN-3-YL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7698536
• LogD (pH = 7.4): -1.537762
• Log P: 1.468298
• Molar Refractivity: 53.1091 cm^3
• Polarizability: 20.33373 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%