5-(bromomethyl)-1H-indazole;hydrobromide

C8H8Br2N2 — CID 22661441

IUPAC5-(bromomethyl)-1H-indazole;hydrobromide
SMILESBr.BrCc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H7BrN2.BrH/c9-4-6-1-2-8-7(3-6)5-10-11-8;/h1-3,5H,4H2,(H,10,11);1H
InChIKeyURVGDURSCZOFER-UHFFFAOYSA-N
MW291.97 g/mol
LogP3.04
Rot. Bonds1

About 5-(bromomethyl)-1H-indazole;hydrobromide

5-(bromomethyl)-1H-indazole;hydrobromide (PubChem CID 22661441) has the molecular formula C8H8Br2N2 and a molecular weight of 291.97 g/mol. Its IUPAC name is 5-(bromomethyl)-1H-indazole;hydrobromide.

Molecular Properties

Compound Name5-(bromomethyl)-1H-indazole;hydrobromide
PubChem CID22661441
Molecular FormulaC8H8Br2N2
Molecular Weight291.97 g/mol
Exact Mass289.91
IUPAC Name5-(bromomethyl)-1H-indazole;hydrobromide
SMILESBr.BrCc1ccc2[nH]ncc2c1
InChIInChI=1S/C8H7BrN2.BrH/c9-4-6-1-2-8-7(3-6)5-10-11-8;/h1-3,5H,4H2,(H,10,11);1H
InChIKeyURVGDURSCZOFER-UHFFFAOYSA-N
XLogP3.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 53.04
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 5-(bromomethyl)-1H-indazole;hydrobromide?
The IUPAC name of 5-(bromomethyl)-1H-indazole;hydrobromide (CID 22661441) is 5-(bromomethyl)-1H-indazole;hydrobromide.
What is the SMILES notation for 5-(bromomethyl)-1H-indazole;hydrobromide?
The canonical SMILES for 5-(bromomethyl)-1H-indazole;hydrobromide is Br.BrCc1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(bromomethyl)-1H-indazole;hydrobromide?
The InChIKey is URVGDURSCZOFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2.BrH/c9-4-6-1-2-8-7(3-6)5-10-11-8;/h1-3,5H,4H2,(H,10,11);1H.
What are the key properties of 5-(bromomethyl)-1H-indazole;hydrobromide?
5-(bromomethyl)-1H-indazole;hydrobromide has a molecular weight of 291.97 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1H-indazole;hydrobromide is sourced from PubChem (CID 22661441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).