6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid

C14H9BrFN3O2 — CID 90332516

IUPAC6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid
SMILESNc1cc2nn(-c3ccc(F)cc3)c(C(=O)O)c2cc1Br
InChIInChI=1S/C14H9BrFN3O2/c15-10-5-9-12(6-11(10)17)18-19(13(9)14(20)21)8-3-1-7(16)2-4-8/h1-6H,17H2,(H,20,21)
InChIKeyFDWMDGOMQQOZBZ-UHFFFAOYSA-N
MW350.15 g/mol
LogP3.21
Rot. Bonds2

About 6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid

6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid (PubChem CID 90332516) has the molecular formula C14H9BrFN3O2 and a molecular weight of 350.15 g/mol. Its IUPAC name is 6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid
PubChem CID90332516
Molecular FormulaC14H9BrFN3O2
Molecular Weight350.15 g/mol
Exact Mass348.99
IUPAC Name6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid
SMILESNc1cc2nn(-c3ccc(F)cc3)c(C(=O)O)c2cc1Br
InChIInChI=1S/C14H9BrFN3O2/c15-10-5-9-12(6-11(10)17)18-19(13(9)14(20)21)8-3-1-7(16)2-4-8/h1-6H,17H2,(H,20,21)
InChIKeyFDWMDGOMQQOZBZ-UHFFFAOYSA-N
XLogP3.21
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid 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 6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid?
The IUPAC name of 6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid (CID 90332516) is 6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid?
The canonical SMILES for 6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid is Nc1cc2nn(-c3ccc(F)cc3)c(C(=O)O)c2cc1Br.
What is the InChIKey of 6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid?
The InChIKey is FDWMDGOMQQOZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O2/c15-10-5-9-12(6-11(10)17)18-19(13(9)14(20)21)8-3-1-7(16)2-4-8/h1-6H,17H2,(H,20,21).
What are the key properties of 6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid?
6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid has a molecular weight of 350.15 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid is sourced from PubChem (CID 90332516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).