3-(bromomethyl)-6-fluoro-2H-indazole

C8H6BrFN2 — CID 10823278

IUPAC3-(bromomethyl)-6-fluoro-2H-indazole
SMILESFc1ccc2c(CBr)[nH]nc2c1
InChIInChI=1S/C8H6BrFN2/c9-4-8-6-2-1-5(10)3-7(6)11-12-8/h1-3H,4H2,(H,11,12)
InChIKeyYRQCLLZJHRJWTL-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.60
Rot. Bonds1

About 3-(bromomethyl)-6-fluoro-2H-indazole

3-(bromomethyl)-6-fluoro-2H-indazole (PubChem CID 10823278) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 3-(bromomethyl)-6-fluoro-2H-indazole.

Molecular Properties

Compound Name3-(bromomethyl)-6-fluoro-2H-indazole
PubChem CID10823278
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name3-(bromomethyl)-6-fluoro-2H-indazole
SMILESFc1ccc2c(CBr)[nH]nc2c1
InChIInChI=1S/C8H6BrFN2/c9-4-8-6-2-1-5(10)3-7(6)11-12-8/h1-3H,4H2,(H,11,12)
InChIKeyYRQCLLZJHRJWTL-UHFFFAOYSA-N
XLogP2.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-fluoro-2H-indazole?
The IUPAC name of 3-(bromomethyl)-6-fluoro-2H-indazole (CID 10823278) is 3-(bromomethyl)-6-fluoro-2H-indazole.
What is the SMILES notation for 3-(bromomethyl)-6-fluoro-2H-indazole?
The canonical SMILES for 3-(bromomethyl)-6-fluoro-2H-indazole is Fc1ccc2c(CBr)[nH]nc2c1.
What is the InChIKey of 3-(bromomethyl)-6-fluoro-2H-indazole?
The InChIKey is YRQCLLZJHRJWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c9-4-8-6-2-1-5(10)3-7(6)11-12-8/h1-3H,4H2,(H,11,12).
What are the key properties of 3-(bromomethyl)-6-fluoro-2H-indazole?
3-(bromomethyl)-6-fluoro-2H-indazole has a molecular weight of 229.05 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-fluoro-2H-indazole is sourced from PubChem (CID 10823278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).