3-bromo-N,N-dimethylpyridin-2-amine

• ChemBase ID: 814932
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: n1c(c(ccc1)Br)N(C)C
• Canonical SMILES: CN(c1ncccc1Br)C
• InChI: InChI=1S/C7H9BrN2/c1-10(2)7-6(8)4-3-5-9-7/h3-5H,1-2H3
• InChIKey: KSVGDNMWQCMHRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 3-bromo-N,N-dimethylpyridin-2-amine
• Synonyms: 3-bromo-N,N-dimethylpyridin-2-amine

Database IDs

• CAS Number: 1060801-39-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1320944
• LogD (pH = 7.4): 2.225486
• Log P: 2.2268274
• Molar Refractivity: 46.266 cm^3
• Polarizability: 17.075975 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%