6-bromo-5-fluoro-2-methyl-2H-indazole

• ChemBase ID: 98101
• Molecular Formular: C8H6BrFN2
• Molecular Mass: 229.0490432
• Monoisotopic Mass: 227.96983842
• SMILES: n1c2cc(c(cc2cn1C)F)Br
• Canonical SMILES: Cn1nc2c(c1)cc(c(c2)Br)F
• InChI: InChI=1S/C8H6BrFN2/c1-12-4-5-2-7(10)6(9)3-8(5)11-12/h2-4H,1H3
• InChIKey: XDHISPQFGNFCCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-5-fluoro-2-methyl-2H-indazole
• IUPAC Traditional name: 6-bromo-5-fluoro-2-methylindazole
• Synonyms: 6-Bromo-5-fluoro-2-methyl-2H-indazole

Database IDs

• MDL Number: MFCD18089820
• PubChem SID: 162084564
• PubChem CID: 53395668

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6878724
• LogD (pH = 7.4): 2.6878874
• Log P: 2.6878874
• Molar Refractivity: 58.8788 cm^3
• Polarizability: 18.920021 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive