6-bromo-N,N-dimethylpyridin-2-amine

• ChemBase ID: 798860
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: n1c(cccc1Br)N(C)C
• Canonical SMILES: Brc1cccc(n1)N(C)C
• InChI: InChI=1S/C7H9BrN2/c1-10(2)7-5-3-4-6(8)9-7/h3-5H,1-2H3
• InChIKey: MIOQBSPUPLFYHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 6-bromo-N,N-dimethylpyridin-2-amine
• Synonyms: 6-bromo-N,N-dimethylpyridin-2-amine

Database IDs

• CAS Number: 112575-13-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4312642
• LogD (pH = 7.4): 2.4323359
• Log P: 2.4323494
• Molar Refractivity: 47.1082 cm^3
• Polarizability: 17.120388 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%