2-bromo-6-(pyrrolidin-3-yl)pyridine

• ChemBase ID: 802834
• Molecular Formular: C9H11BrN2
• Molecular Mass: 227.10104
• Monoisotopic Mass: 226.01056036
• SMILES: n1c(cccc1C1CNCC1)Br
• Canonical SMILES: Brc1cccc(n1)C1CNCC1
• InChI: InChI=1S/C9H11BrN2/c10-9-3-1-2-8(12-9)7-4-5-11-6-7/h1-3,7,11H,4-6H2
• InChIKey: HBVGYHNKCKMQOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(pyrrolidin-3-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(pyrrolidin-3-yl)pyridine
• Synonyms: 2-BROMO-6-(PYRROLIDIN-3-YL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5601714
• LogD (pH = 7.4): -1.2537307
• Log P: 1.6761348
• Molar Refractivity: 52.6342 cm^3
• Polarizability: 20.335636 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%