5-bromo-N-methylpyridin-2-amine

• ChemBase ID: 49215
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: n1c(NC)ccc(c1)Br
• Canonical SMILES: CNc1ccc(cn1)Br
• InChI: InChI=1S/C6H7BrN2/c1-8-6-3-2-5(7)4-9-6/h2-4H,1H3,(H,8,9)
• InChIKey: KHPPOPZLVCZUPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-methylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-N-methylpyridin-2-amine
• Synonyms: 5-bromo-N-methylpyridin-2-amine; 5-Bromo-N-methyl-2-pyridinamine

Database IDs

• CAS Number: 84539-30-0
• MDL Number: MFCD08272096
• PubChem SID: 162053978
• PubChem CID: 15645663

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5008879
• LogD (pH = 7.4): 1.5902843
• Log P: 1.5915617
• Molar Refractivity: 42.0312 cm^3
• Polarizability: 15.2641325 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 2.11

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%