2-bromo-4-(pyrrolidine-1-carbonyl)pyridine

• ChemBase ID: 308528
• Molecular Formular: C10H11BrN2O
• Molecular Mass: 255.11114
• Monoisotopic Mass: 254.00547498
• SMILES: C(=O)(N1CCCC1)c1cc(ncc1)Br
• Canonical SMILES: Brc1nccc(c1)C(=O)N1CCCC1
• InChI: InChI=1S/C10H11BrN2O/c11-9-7-8(3-4-12-9)10(14)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
• InChIKey: UNGGHSBYTDJINR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-(pyrrolidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2-bromo-4-(pyrrolidine-1-carbonyl)pyridine
• Synonyms: 2-bromo-4-(1-pyrrolidinylcarbonyl)pyridine

Database IDs

• CAS Number: 892548-11-7
• MDL Number: MFCD12198445

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.433637
• LogD (pH = 7.4): 1.4336379
• Log P: 1.433638
• Molar Refractivity: 58.7789 cm^3
• Polarizability: 21.823853 Å^3
• Polar Surface Area: 33.2 Å^2