3-(2-bromopyridin-3-yl)propan-1-amine

• ChemBase ID: 804366
• Molecular Formular: C8H11BrN2
• Molecular Mass: 215.09034
• Monoisotopic Mass: 214.01056036
• SMILES: NCCCc1c(nccc1)Br
• Canonical SMILES: NCCCc1cccnc1Br
• InChI: InChI=1S/C8H11BrN2/c9-8-7(3-1-5-10)4-2-6-11-8/h2,4,6H,1,3,5,10H2
• InChIKey: NBBALYMPEOMYBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-bromopyridin-3-yl)propan-1-amine
• IUPAC Traditional name: 3-(2-bromopyridin-3-yl)propan-1-amine
• Synonyms: 3-(2-BROMO-PYRIDIN-3-YL)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4312627
• LogD (pH = 7.4): -0.9086539
• Log P: 1.5888463
• Molar Refractivity: 50.1955 cm^3
• Polarizability: 19.22206 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%