1-(5-bromopyridin-3-yl)ethan-1-amine

• ChemBase ID: 807295
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: NC(C)c1cncc(c1)Br
• Canonical SMILES: CC(c1cc(Br)cnc1)N
• InChI: InChI=1S/C7H9BrN2/c1-5(9)6-2-7(8)4-10-3-6/h2-5H,9H2,1H3
• InChIKey: JVXAQAZTSXAUQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-bromopyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 1-(5-bromopyridin-3-yl)ethanamine
• Synonyms: 1-(5-BROMO-PYRIDIN-3-YL)-ETHYLAMINE

CALCULATED PROPERTIES

• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8979211
• LogD (pH = 7.4): -0.807563
• Log P: 1.0666695
• Molar Refractivity: 44.4161 cm^3
• Polarizability: 17.420765 Å^3

PROPERTIES

Product Information

• Purity: 98%