(4-bromo-5-methylpyridin-2-yl)methanamine

• ChemBase ID: 814403
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: C(N)c1ncc(c(c1)Br)C
• Canonical SMILES: NCc1ncc(c(c1)Br)C
• InChI: InChI=1S/C7H9BrN2/c1-5-4-10-6(3-9)2-7(5)8/h2,4H,3,9H2,1H3
• InChIKey: QDMBICCJQHLVDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-5-methylpyridin-2-yl)methanamine
• IUPAC Traditional name: (4-bromo-5-methylpyridin-2-yl)methanamine
• Synonyms: (4-bromo-5-methylpyridin-2-yl)methanamine

Database IDs

• CAS Number: 1196156-91-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4616722
• LogD (pH = 7.4): 0.13263245
• Log P: 1.2449877
• Molar Refractivity: 44.5163 cm^3
• Polarizability: 17.348574 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%