6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine

• ChemBase ID: 69241
• Molecular Formular: C7H5BrN2S
• Molecular Mass: 229.097
• Monoisotopic Mass: 227.93568117
• SMILES: c12c(cc(cn1)Br)nc(s2)C
• Canonical SMILES: Brc1cnc2c(c1)nc(s2)C
• InChI: InChI=1S/C7H5BrN2S/c1-4-10-6-2-5(8)3-9-7(6)11-4/h2-3H,1H3
• InChIKey: OSJMMGGVXKKBHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine
• IUPAC Traditional name: 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine
• Synonyms: 6-bromo-2-methyl[1,3]thiazolo[5,4-b]pyridine; 6-Bromo-2-methylthiazolo[5,4-b]pyridine

Database IDs

• CAS Number: 886372-92-5
• MDL Number: MFCD07375016
• PubChem SID: 162034969
• PubChem CID: 56923657

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1550786
• LogD (pH = 7.4): 2.1550786
• Log P: 2.1550786
• Molar Refractivity: 46.9879 cm^3
• Polarizability: 18.707275 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%