7-bromo-2,3-dimethyl-2H-indazole

• ChemBase ID: 88205
• Molecular Formular: C9H9BrN2
• Molecular Mass: 225.08516
• Monoisotopic Mass: 223.9949103
• SMILES: n1c2c(cccc2c(n1C)C)Br
• Canonical SMILES: Cn1nc2c(c1C)cccc2Br
• InChI: InChI=1S/C9H9BrN2/c1-6-7-4-3-5-8(10)9(7)11-12(6)2/h3-5H,1-2H3
• InChIKey: BEMHWUFIOBSKJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2,3-dimethyl-2H-indazole
• IUPAC Traditional name: 7-bromo-2,3-dimethylindazole
• Synonyms: 7-Bromo-2,3-dimethyl-2H-indazole

Database IDs

• PubChem SID: 162104558
• PubChem CID: 44119473

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7447312
• LogD (pH = 7.4): 2.7447467
• Log P: 2.744747
• Molar Refractivity: 63.8121 cm^3
• Polarizability: 20.878448 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant