2-bromo(1-15N)pyridine

• ChemBase ID: 163046
• Molecular Formular: C5H4BrN
• Molecular Mass: 158.9893689
• Monoisotopic Mass: 157.94974603
• SMILES: c1c[15n]c(cc1)Br
• Canonical SMILES: Brc1cccc[15n]1
• InChI: InChI=1S/C5H4BrN/c6-5-3-1-2-4-7-5/h1-4H/i7+1
• InChIKey: IMRWILPUOVGIMU-CDYZYAPPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo(1-^1^5N)pyridine
• IUPAC Traditional name: 2-bromo(1-^1^5N)pyridine
• Synonyms: 2-Pyridine-15N Bromide; 2-Pyridyl-15N Bromide; NSC 8031-15N; 2-Bromopyridine-15N

Database IDs

• CAS Number: 54267-53-7
• PubChem SID: 162257181
• PubChem CID: 10820852

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7298084
• LogD (pH = 7.4): 1.7298476
• Log P: 1.729848
• Molar Refractivity: 32.3661 cm^3
• Polarizability: 12.334084 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Brown Liquid