3-(6-bromopyridin-3-yl)propan-1-amine

• ChemBase ID: 804364
• Molecular Formular: C8H11BrN2
• Molecular Mass: 215.09034
• Monoisotopic Mass: 214.01056036
• SMILES: NCCCc1cnc(cc1)Br
• Canonical SMILES: NCCCc1ccc(nc1)Br
• InChI: InChI=1S/C8H11BrN2/c9-8-4-3-7(6-11-8)2-1-5-10/h3-4,6H,1-2,5,10H2
• InChIKey: SWOISGWRHVSWLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-bromopyridin-3-yl)propan-1-amine
• IUPAC Traditional name: 3-(6-bromopyridin-3-yl)propan-1-amine
• Synonyms: 3-(6-BROMO-PYRIDIN-3-YL)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4312476
• LogD (pH = 7.4): -0.908668
• Log P: 1.5888463
• Molar Refractivity: 50.1955 cm^3
• Polarizability: 19.220663 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%