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

• ChemBase ID: 814875
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(C)(N)c1nc(ccc1)Br
• Canonical SMILES: Brc1cccc(n1)C(N)C
• InChI: InChI=1S/C7H9BrN2/c1-5(9)6-3-2-4-7(8)10-6/h2-5H,9H2,1H3
• InChIKey: NVMOBBCPDRYXDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 914950-77-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.314706
• LogD (pH = 7.4): 0.1624972
• Log P: 1.5058526
• Molar Refractivity: 44.8112 cm^3
• Polarizability: 17.471125 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%