2-(azetidin-1-yl)-5-bromopyridine

• ChemBase ID: 247565
• Molecular Formular: C8H9BrN2
• Molecular Mass: 213.07446
• Monoisotopic Mass: 211.9949103
• SMILES: c1(N2CCC2)ncc(cc1)Br
• Canonical SMILES: Brc1ccc(nc1)N1CCC1
• InChI: InChI=1S/C8H9BrN2/c9-7-2-3-8(10-6-7)11-4-1-5-11/h2-3,6H,1,4-5H2
• InChIKey: LBSNUAQAYRFPQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azetidin-1-yl)-5-bromopyridine
• IUPAC Traditional name: 2-(azetidin-1-yl)-5-bromopyridine
• Synonyms: 2-(azetidin-1-yl)-5-bromopyridine

Database IDs

• PubChem SID: 164303475
• PubChem CID: 18329833

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0590718
• LogD (pH = 7.4): 2.114504
• Log P: 2.1152623
• Molar Refractivity: 49.1624 cm^3
• Polarizability: 18.185472 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.862

Product Information

• Purity: 95%