2-bromo-6-(pyrrolidin-1-yl)pyridine

• ChemBase ID: 92524
• Molecular Formular: C9H11BrN2
• Molecular Mass: 227.10104
• Monoisotopic Mass: 226.01056036
• SMILES: N1(c2cccc(n2)Br)CCCC1
• Canonical SMILES: Brc1cccc(n1)N1CCCC1
• InChI: InChI=1S/C9H11BrN2/c10-8-4-3-5-9(11-8)12-6-1-2-7-12/h3-5H,1-2,6-7H2
• InChIKey: HZOWJDJNPISFJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(pyrrolidin-1-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(pyrrolidin-1-yl)pyridine
• Synonyms: 2-bromo-6-pyrrolidin-1-ylpyridine; 2-Bromo-6-pyrrolidin-1-ylpyridine 97%

Database IDs

• CAS Number: 230618-41-4
• MDL Number: MFCD08271892
• PubChem SID: 162079222
• PubChem CID: 15470277

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.837224
• LogD (pH = 7.4): 2.8381352
• Log P: 2.838147
• Molar Refractivity: 54.6492 cm^3
• Polarizability: 20.049614 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85.5-88.5°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 90%; 98%