2-(5-bromopyridin-2-yl)ethan-1-amine

• ChemBase ID: 806681
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(Cc1ncc(cc1)Br)N
• Canonical SMILES: NCCc1ccc(cn1)Br
• InChI: InChI=1S/C7H9BrN2/c8-6-1-2-7(3-4-9)10-5-6/h1-2,5H,3-4,9H2
• InChIKey: YSONVYGWEROTBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-bromopyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-bromopyridin-2-yl)ethanamine
• Synonyms: 2-(5-BROMOPYRIDIN-2-YL)ETHANAMINE

Database IDs

• CAS Number: 691872-17-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0284467
• LogD (pH = 7.4): -1.1675842
• Log P: 0.96857905
• Molar Refractivity: 44.1745 cm^3
• Polarizability: 17.353811 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%