5-bromo-2-[2-(pyrrolidin-1-yl)ethoxy]pyridine

• ChemBase ID: 290628
• Molecular Formular: C11H15BrN2O
• Molecular Mass: 271.1536
• Monoisotopic Mass: 270.03677511
• SMILES: Brc1cnc(OCCN2CCCC2)cc1
• Canonical SMILES: Brc1ccc(nc1)OCCN1CCCC1
• InChI: InChI=1S/C11H15BrN2O/c12-10-3-4-11(13-9-10)15-8-7-14-5-1-2-6-14/h3-4,9H,1-2,5-8H2
• InChIKey: BNSQBAZKDMOPEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-[2-(pyrrolidin-1-yl)ethoxy]pyridine
• IUPAC Traditional name: 5-bromo-2-[2-(pyrrolidin-1-yl)ethoxy]pyridine
• Synonyms: 5-Bromo-2-(2-(pyrrolidin-1-yl)ethoxy)pyridine

Database IDs

• CAS Number: 180916-06-7
• PubChem SID: 180676159
• PubChem CID: 10588166

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5776776
• LogD (pH = 7.4): 1.1505927
• Log P: 2.3855543
• Molar Refractivity: 63.8607 cm^3
• Polarizability: 24.739727 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%