5-bromo-6-fluoro-2-methylindazole

C8H6BrFN2 — CID 131489264

IUPAC5-bromo-6-fluoro-2-methylindazole
SMILESCn1cc2cc(Br)c(F)cc2n1
InChIInChI=1S/C8H6BrFN2/c1-12-4-5-2-6(9)7(10)3-8(5)11-12/h2-4H,1H3
InChIKeyROOLMMOBFMVQTM-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.47
Rot. Bonds

About 5-bromo-6-fluoro-2-methylindazole

5-bromo-6-fluoro-2-methylindazole (PubChem CID 131489264) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-methylindazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-methylindazole
PubChem CID131489264
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name5-bromo-6-fluoro-2-methylindazole
SMILESCn1cc2cc(Br)c(F)cc2n1
InChIInChI=1S/C8H6BrFN2/c1-12-4-5-2-6(9)7(10)3-8(5)11-12/h2-4H,1H3
InChIKeyROOLMMOBFMVQTM-UHFFFAOYSA-N
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-6-fluoro-2-methylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-methylindazole?
The IUPAC name of 5-bromo-6-fluoro-2-methylindazole (CID 131489264) is 5-bromo-6-fluoro-2-methylindazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-methylindazole?
The canonical SMILES for 5-bromo-6-fluoro-2-methylindazole is Cn1cc2cc(Br)c(F)cc2n1.
What is the InChIKey of 5-bromo-6-fluoro-2-methylindazole?
The InChIKey is ROOLMMOBFMVQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c1-12-4-5-2-6(9)7(10)3-8(5)11-12/h2-4H,1H3.
What are the key properties of 5-bromo-6-fluoro-2-methylindazole?
5-bromo-6-fluoro-2-methylindazole has a molecular weight of 229.05 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-methylindazole is sourced from PubChem (CID 131489264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).