4-bromo-6-methylpyridin-3-amine

• ChemBase ID: 813811
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: n1cc(c(cc1C)Br)N
• Canonical SMILES: Cc1ncc(c(c1)Br)N
• InChI: InChI=1S/C6H7BrN2/c1-4-2-5(7)6(8)3-9-4/h2-3H,8H2,1H3
• InChIKey: FLIFLOPUVMKJOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-methylpyridin-3-amine
• IUPAC Traditional name: 4-bromo-6-methylpyridin-3-amine
• Synonyms: 4-bromo-6-methylpyridin-3-amine

Database IDs

• CAS Number: 1060812-94-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7122117
• LogD (pH = 7.4): 0.8251049
• Log P: 0.82677025
• Molar Refractivity: 40.8158 cm^3
• Polarizability: 15.196277 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%