6-bromo-2-methylpyridin-3-amine

• ChemBase ID: 65493
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(c(ccc(n1)Br)N)C
• Canonical SMILES: Brc1ccc(c(n1)C)N
• InChI: InChI=1S/C6H7BrN2/c1-4-5(8)2-3-6(7)9-4/h2-3H,8H2,1H3
• InChIKey: UBTQJSZELCWGCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methylpyridin-3-amine
• IUPAC Traditional name: 6-bromo-2-methylpyridin-3-amine
• Synonyms: 6-bromo-2-methylpyridin-3-amine; 3-Amino-6-bromo-2-methylpyridine; 6-Bromo-2-methyl-pyridin-3-ylamine; 6-Bromo-2-methylpyridin-3-amine; 5-Amino-2-bromo-6-picoline

Database IDs

• CAS Number: 126325-47-1
• MDL Number: MFCD03095086
• PubChem SID: 162031232
• PubChem CID: 14418045

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0313635
• LogD (pH = 7.4): 1.0322806
• Log P: 1.0322922
• Molar Refractivity: 41.658 cm^3
• Polarizability: 15.244626 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.753

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; 98%