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

• ChemBase ID: 806680
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(Cc1c(nccc1)Br)N
• Canonical SMILES: NCCc1cccnc1Br
• InChI: InChI=1S/C7H9BrN2/c8-7-6(3-4-9)2-1-5-10-7/h1-2,5H,3-4,9H2
• InChIKey: UJORRABWNOHMTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromopyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-bromopyridin-3-yl)ethanamine
• Synonyms: 2-(2-BROMOPYRIDIN-3-YL)ETHANAMINE

Database IDs

• CAS Number: 337966-20-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8556547
• LogD (pH = 7.4): -1.0272071
• Log P: 1.1442777
• Molar Refractivity: 45.5945 cm^3
• Polarizability: 17.404087 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%