6-bromo-5-methylpyridin-3-amine

• ChemBase ID: 67409
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(c(cc(cn1)N)C)Br
• Canonical SMILES: Nc1cnc(c(c1)C)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-2-5(8)3-9-6(4)7/h2-3H,8H2,1H3
• InChIKey: IEONGQZSAUAAKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-5-methylpyridin-3-amine
• IUPAC Traditional name: 6-bromo-5-methylpyridin-3-amine
• Synonyms: 5-Amino-2-bromo-3-picoline

Database IDs

• CAS Number: 38186-83-3
• MDL Number: MFCD03095085
• PubChem SID: 162033144
• PubChem CID: 12362446

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4136944
• LogD (pH = 7.4): 1.4143353
• Log P: 1.4143435
• Molar Refractivity: 42.1077 cm^3
• Polarizability: 15.245651 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%