2-bromo-3-methylpyridin-4-amine

• ChemBase ID: 292281
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: Cc1c(N)ccnc1Br
• Canonical SMILES: Nc1ccnc(c1C)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-5(8)2-3-9-6(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: NYMGGRYETCRBSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-methylpyridin-4-amine
• IUPAC Traditional name: 2-bromo-3-methylpyridin-4-amine
• Synonyms: 2-Bromo-3-methylpyridin-4-amine

Database IDs

• CAS Number: 79055-61-1
• PubChem SID: 180677812
• PubChem CID: 12643708

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.947262
• LogD (pH = 7.4): 1.4032089
• Log P: 1.4143435
• Molar Refractivity: 42.1077 cm^3
• Polarizability: 15.241826 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%