2-(6-bromopyridin-2-yl)ethan-1-amine

• ChemBase ID: 288922
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: NCCc1nc(Br)ccc1
• Canonical SMILES: NCCc1cccc(n1)Br
• InChI: InChI=1S/C7H9BrN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4-5,9H2
• InChIKey: SPZHBKMCZADCIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-bromopyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-bromopyridin-2-yl)ethanamine
• Synonyms: 2-(6-Bromopyridin-2-yl)ethanamine

Database IDs

• CAS Number: 404034-81-7
• PubChem SID: 180674453
• PubChem CID: 22220907

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8216428
• LogD (pH = 7.4): -0.950928
• Log P: 1.1741011
• Molar Refractivity: 45.0167 cm^3
• Polarizability: 17.40329 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%