6-bromo-N,N-diethylpyridin-2-amine

• ChemBase ID: 804107
• Molecular Formular: C9H13BrN2
• Molecular Mass: 229.11692
• Monoisotopic Mass: 228.02621043
• SMILES: n1c(cccc1Br)N(CC)CC
• Canonical SMILES: CCN(c1cccc(n1)Br)CC
• InChI: InChI=1S/C9H13BrN2/c1-3-12(4-2)9-7-5-6-8(10)11-9/h5-7H,3-4H2,1-2H3
• InChIKey: BACITTGULZNNGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N,N-diethylpyridin-2-amine
• IUPAC Traditional name: 6-bromo-N,N-diethylpyridin-2-amine
• Synonyms: 6-BROMO-2-DIETHYLAMINOPYRIDINE

Database IDs

• CAS Number: 856850-57-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1450303
• LogD (pH = 7.4): 3.1459537
• Log P: 3.1459653
• Molar Refractivity: 56.6054 cm^3
• Polarizability: 20.75285 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%