4-bromo-5-methylpyridin-2-amine

• ChemBase ID: 289641
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: Cc1cnc(N)cc1Br
• Canonical SMILES: Nc1ncc(c(c1)Br)C
• InChI: InChI=1S/C6H7BrN2/c1-4-3-9-6(8)2-5(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: GFIZLNBSILWOTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-5-methylpyridin-2-amine
• IUPAC Traditional name: 4-bromo-5-methylpyridin-2-amine
• Synonyms: 4-Bromo-5-methylpyridin-2-amine

Database IDs

• CAS Number: 1033203-32-5
• PubChem SID: 180675172
• PubChem CID: 55264589

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1566246
• LogD (pH = 7.4): 1.7826151
• Log P: 1.8032789
• Molar Refractivity: 41.579 cm^3
• Polarizability: 15.192498 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%