2-bromo-6-methylpyridin-4-amine

• ChemBase ID: 78078
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: n1c(cc(cc1C)N)Br
• Canonical SMILES: Nc1cc(C)nc(c1)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-2-5(8)3-6(7)9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: GKNGDJAGDPAQHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-methylpyridin-4-amine
• IUPAC Traditional name: 2-bromo-6-methylpyridin-4-amine
• Synonyms: 2-Bromo-6-methylpyridin-4-amine; 4-Amino-2-bromo-6-methylpyridine; 2-bromo-6-methylpyridin-4-amine

Database IDs

• CAS Number: 79055-59-7
• PubChem SID: 162104417
• PubChem CID: 12643710

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.36255857
• LogD (pH = 7.4): 1.0118419
• Log P: 1.0322922
• Molar Refractivity: 41.658 cm^3
• Polarizability: 15.240725 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 98%