2-(azetidin-1-yl)-6-bromopyridine

• ChemBase ID: 288755
• Molecular Formular: C8H9BrN2
• Molecular Mass: 213.07446
• Monoisotopic Mass: 211.9949103
• SMILES: Brc1cccc(N2CCC2)n1
• Canonical SMILES: Brc1cccc(n1)N1CCC1
• InChI: InChI=1S/C8H9BrN2/c9-7-3-1-4-8(10-7)11-5-2-6-11/h1,3-4H,2,5-6H2
• InChIKey: ZHUXRIKRNRRWNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azetidin-1-yl)-6-bromopyridine
• IUPAC Traditional name: 2-(azetidin-1-yl)-6-bromopyridine
• Synonyms: 2-(Azetidin-1-yl)-6-bromopyridine

Database IDs

• CAS Number: 1288991-76-3
• PubChem SID: 180674286
• PubChem CID: 57345851

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3198633
• LogD (pH = 7.4): 2.3207726
• Log P: 2.3207843
• Molar Refractivity: 50.0046 cm^3
• Polarizability: 18.234718 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%