5-bromo-2-phenylindazole

C13H9BrN2 — CID 162512752

IUPAC5-bromo-2-phenylindazole
SMILESBrc1ccc2nn(-c3ccccc3)cc2c1
InChIInChI=1S/C13H9BrN2/c14-11-6-7-13-10(8-11)9-16(15-13)12-4-2-1-3-5-12/h1-9H
InChIKeyIUXXIQMTTJCVEA-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.79
Rot. Bonds1

About 5-bromo-2-phenylindazole

5-bromo-2-phenylindazole (PubChem CID 162512752) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-2-phenylindazole.

Molecular Properties

Compound Name5-bromo-2-phenylindazole
PubChem CID162512752
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name5-bromo-2-phenylindazole
SMILESBrc1ccc2nn(-c3ccccc3)cc2c1
InChIInChI=1S/C13H9BrN2/c14-11-6-7-13-10(8-11)9-16(15-13)12-4-2-1-3-5-12/h1-9H
InChIKeyIUXXIQMTTJCVEA-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-phenylindazole 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-2-phenylindazole?
The IUPAC name of 5-bromo-2-phenylindazole (CID 162512752) is 5-bromo-2-phenylindazole.
What is the SMILES notation for 5-bromo-2-phenylindazole?
The canonical SMILES for 5-bromo-2-phenylindazole is Brc1ccc2nn(-c3ccccc3)cc2c1.
What is the InChIKey of 5-bromo-2-phenylindazole?
The InChIKey is IUXXIQMTTJCVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-11-6-7-13-10(8-11)9-16(15-13)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 5-bromo-2-phenylindazole?
5-bromo-2-phenylindazole has a molecular weight of 273.13 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylindazole is sourced from PubChem (CID 162512752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).