2-bromo-6-methylpyridin-3-amine

• ChemBase ID: 70660
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(c(ccc(n1)C)N)Br
• Canonical SMILES: Cc1ccc(c(n1)Br)N
• InChI: InChI=1S/C6H7BrN2/c1-4-2-3-5(8)6(7)9-4/h2-3H,8H2,1H3
• InChIKey: KLVZEEUNGGOROA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 126325-48-2; 126325-53-9
• MDL Number: MFCD03095078
• PubChem SID: 162036373
• PubChem CID: 14418051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.031805
• LogD (pH = 7.4): 1.032286
• Log P: 1.0322922
• Molar Refractivity: 41.658 cm^3
• Polarizability: 15.248649 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.853

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%; 98%