7-bromo-2-methyl-[1,3]oxazolo[4,5-c]pyridine

• ChemBase ID: 291902
• Molecular Formular: C7H5BrN2O
• Molecular Mass: 213.0314
• Monoisotopic Mass: 211.95852479
• SMILES: Cc1nc2c(o1)c(Br)cnc2
• Canonical SMILES: Cc1nc2c(o1)c(Br)cnc2
• InChI: InChI=1S/C7H5BrN2O/c1-4-10-6-3-9-2-5(8)7(6)11-4/h2-3H,1H3
• InChIKey: LACXEYMKTOJZHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2-methyl-[1,3]oxazolo[4,5-c]pyridine
• IUPAC Traditional name: 7-bromo-2-methyl-[1,3]oxazolo[4,5-c]pyridine
• Synonyms: 7-Bromo-2-methyloxazolo[4,5-c]pyridine

Database IDs

• CAS Number: 116081-17-5
• MDL Number: MFCD08692342
• PubChem SID: 180677433
• PubChem CID: 70700820

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9940095
• LogD (pH = 7.4): 0.9940103
• Log P: 0.9940103
• Molar Refractivity: 42.6297 cm^3
• Polarizability: 17.556358 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%