6-bromo-N-methylpyridin-2-amine

• ChemBase ID: 61832
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1c(nc(cc1)NC)Br
• Canonical SMILES: CNc1cccc(n1)Br
• InChI: InChI=1S/C6H7BrN2/c1-8-6-4-2-3-5(7)9-6/h2-4H,1H3,(H,8,9)
• InChIKey: LYEPZCPAEZKSKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N-methylpyridin-2-amine
• IUPAC Traditional name: 6-bromo-N-methylpyridin-2-amine
• Synonyms: 6-(Bromopyridin-2-yl)methylamine; 6-BROMO-2-METHYLAMINOPYRIDINE

Database IDs

• CAS Number: 188637-63-0; 89026-79-9
• MDL Number: MFCD09261221
• PubChem SID: 162027571
• PubChem CID: 13470315

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7955171
• LogD (pH = 7.4): 1.797064
• Log P: 1.7970837
• Molar Refractivity: 42.8734 cm^3
• Polarizability: 15.312561 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%