2-(4-bromopyridin-3-yl)ethan-1-amine

• ChemBase ID: 806685
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: NCCc1cnccc1Br
• Canonical SMILES: NCCc1cnccc1Br
• InChI: InChI=1S/C7H9BrN2/c8-7-2-4-10-5-6(7)1-3-9/h2,4-5H,1,3,9H2
• InChIKey: PVWAIAYUUNWRQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromopyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-bromopyridin-3-yl)ethanamine
• Synonyms: 2-(4-BROMO-PYRIDIN-3-YL)-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0620291
• LogD (pH = 7.4): -1.2345493
• Log P: 0.93875563
• Molar Refractivity: 44.7523 cm^3
• Polarizability: 17.350393 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%