5-bromo-7-ethyl-1H-indazole

C9H9BrN2 — CID 21102195

IUPAC5-bromo-7-ethyl-1H-indazole
SMILESCCc1cc(Br)cc2cn[nH]c12
InChIInChI=1S/C9H9BrN2/c1-2-6-3-8(10)4-7-5-11-12-9(6)7/h3-5H,2H2,1H3,(H,11,12)
InChIKeyUXSIDFXINVIZIM-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.89
Rot. Bonds1

About 5-bromo-7-ethyl-1H-indazole

5-bromo-7-ethyl-1H-indazole (PubChem CID 21102195) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 5-bromo-7-ethyl-1H-indazole.

Molecular Properties

Compound Name5-bromo-7-ethyl-1H-indazole
PubChem CID21102195
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name5-bromo-7-ethyl-1H-indazole
SMILESCCc1cc(Br)cc2cn[nH]c12
InChIInChI=1S/C9H9BrN2/c1-2-6-3-8(10)4-7-5-11-12-9(6)7/h3-5H,2H2,1H3,(H,11,12)
InChIKeyUXSIDFXINVIZIM-UHFFFAOYSA-N
XLogP2.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-7-ethyl-1H-indazole 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-7-ethyl-1H-indazole?
The IUPAC name of 5-bromo-7-ethyl-1H-indazole (CID 21102195) is 5-bromo-7-ethyl-1H-indazole.
What is the SMILES notation for 5-bromo-7-ethyl-1H-indazole?
The canonical SMILES for 5-bromo-7-ethyl-1H-indazole is CCc1cc(Br)cc2cn[nH]c12.
What is the InChIKey of 5-bromo-7-ethyl-1H-indazole?
The InChIKey is UXSIDFXINVIZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-2-6-3-8(10)4-7-5-11-12-9(6)7/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 5-bromo-7-ethyl-1H-indazole?
5-bromo-7-ethyl-1H-indazole has a molecular weight of 225.09 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-ethyl-1H-indazole is sourced from PubChem (CID 21102195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).