1-(6-bromopyridin-2-yl)piperazine

• ChemBase ID: 307189
• Molecular Formular: C9H12BrN3
• Molecular Mass: 242.11568
• Monoisotopic Mass: 241.0214594
• SMILES: n1c(N2CCNCC2)cccc1Br
• Canonical SMILES: Brc1cccc(n1)N1CCNCC1
• InChI: InChI=1S/C9H12BrN3/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
• InChIKey: WBRRYSNZMKKYLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-bromopyridin-2-yl)piperazine
• IUPAC Traditional name: 1-(6-bromopyridin-2-yl)piperazine
• Synonyms: 1-(6-bromopyridin-2-yl)piperazine

Database IDs

• CAS Number: 219635-91-3
• MDL Number: MFCD08691550

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0628662
• LogD (pH = 7.4): 0.50564164
• Log P: 1.8964211
• Molar Refractivity: 57.8636 cm^3
• Polarizability: 21.576647 Å^3
• Polar Surface Area: 28.16 Å^2

PROPERTIES

Product Information

• Purity: 98%