1-(6-bromopyridin-3-yl)ethan-1-amine

• ChemBase ID: 814874
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(C)(N)c1cnc(cc1)Br
• Canonical SMILES: Brc1ccc(cn1)C(N)C
• InChI: InChI=1S/C7H9BrN2/c1-5(9)6-2-3-7(8)10-4-6/h2-5H,9H2,1H3
• InChIKey: COGGCXWSBTVYEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-bromopyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 1-(6-bromopyridin-3-yl)ethanamine
• Synonyms: 1-(6-bromopyridin-3-yl)ethanamine

Database IDs

• CAS Number: 1060811-56-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6987902
• LogD (pH = 7.4): -0.64422804
• Log P: 1.2721915
• Molar Refractivity: 45.2583 cm^3
• Polarizability: 17.470253 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%