6-bromo-N,N-dimethylpyridin-3-amine

• ChemBase ID: 800794
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: n1cc(ccc1Br)N(C)C
• Canonical SMILES: Brc1ccc(cn1)N(C)C
• InChI: InChI=1S/C7H9BrN2/c1-10(2)6-3-4-7(8)9-5-6/h3-5H,1-2H3
• InChIKey: BORPINHDNLCKMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N,N-dimethylpyridin-3-amine
• IUPAC Traditional name: 6-bromo-N,N-dimethylpyridin-3-amine
• Synonyms: 6-bromo-N,N-dimethylpyridin-3-amine

Database IDs

• CAS Number: 39856-56-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8377676
• LogD (pH = 7.4): 1.8378903
• Log P: 1.8378919
• Molar Refractivity: 46.7947 cm^3
• Polarizability: 17.12021 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%