5-bromo-N,N-dimethylpyridin-2-amine

• ChemBase ID: 48643
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: n1c(N(C)C)ccc(c1)Br
• Canonical SMILES: Brc1ccc(nc1)N(C)C
• InChI: InChI=1S/C7H9BrN2/c1-10(2)7-4-3-6(8)5-9-7/h3-5H,1-2H3
• InChIKey: XIMCGXXYEMOWQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-N,N-dimethylpyridin-2-amine
• Synonyms: 5-Bromo-N,N-dimethylpyridin-2-amine; 5-Bromo-2-(dimethylamino)pyridine; N-(5-Bromo-2-pyridinyl)-N,N-dimethylamine; 5-BROMO-2-DIMETHYLAMINOPYRIDINE; 5-Bromo-N,N-dimethylpyridin-2-amine

Database IDs

• CAS Number: 5521-57-3; 26163-07-5
• MDL Number: MFCD00099486
• PubChem SID: 162053406
• PubChem CID: 3803041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1616087
• LogD (pH = 7.4): 2.2259376
• Log P: 2.2268274
• Molar Refractivity: 46.266 cm^3
• Polarizability: 17.071264 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39-43°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%