5-bromo-6-methylpyridin-3-amine

• ChemBase ID: 63455
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(Br)cc(N)cnc1C
• Canonical SMILES: Nc1cnc(c(c1)Br)C
• InChI: InChI=1S/C6H7BrN2/c1-4-6(7)2-5(8)3-9-4/h2-3H,8H2,1H3
• InChIKey: UCLLYIVDXZGQSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 186593-43-1
• MDL Number: MFCD08060462
• PubChem SID: 162029194
• PubChem CID: 18458896

CALCULATED PROPERTIES

• Polarizability: 15.197181 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.77096856
• LogD (pH = 7.4): 0.8260175
• Log P: 0.82677025
• Molar Refractivity: 40.8158 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 97%