6-bromo-4-fluoro-1H-indazole-3-carboxylic acid

C8H4BrFN2O2 — CID 24728170

IUPAC6-bromo-4-fluoro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(Br)cc(F)c12
InChIInChI=1S/C8H4BrFN2O2/c9-3-1-4(10)6-5(2-3)11-12-7(6)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyCCPDJXSRIPZFSY-UHFFFAOYSA-N
MW259.03 g/mol
LogP2.16
Rot. Bonds1

About 6-bromo-4-fluoro-1H-indazole-3-carboxylic acid

6-bromo-4-fluoro-1H-indazole-3-carboxylic acid (PubChem CID 24728170) has the molecular formula C8H4BrFN2O2 and a molecular weight of 259.03 g/mol. Its IUPAC name is 6-bromo-4-fluoro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-fluoro-1H-indazole-3-carboxylic acid
PubChem CID24728170
Molecular FormulaC8H4BrFN2O2
Molecular Weight259.03 g/mol
Exact Mass257.94
IUPAC Name6-bromo-4-fluoro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(Br)cc(F)c12
InChIInChI=1S/C8H4BrFN2O2/c9-3-1-4(10)6-5(2-3)11-12-7(6)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyCCPDJXSRIPZFSY-UHFFFAOYSA-N
XLogP2.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.03
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4-fluoro-1H-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-bromo-4-fluoro-1H-indazole-3-carboxylic acid?
The IUPAC name of 6-bromo-4-fluoro-1H-indazole-3-carboxylic acid (CID 24728170) is 6-bromo-4-fluoro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 6-bromo-4-fluoro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 6-bromo-4-fluoro-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2cc(Br)cc(F)c12.
What is the InChIKey of 6-bromo-4-fluoro-1H-indazole-3-carboxylic acid?
The InChIKey is CCPDJXSRIPZFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O2/c9-3-1-4(10)6-5(2-3)11-12-7(6)8(13)14/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 6-bromo-4-fluoro-1H-indazole-3-carboxylic acid?
6-bromo-4-fluoro-1H-indazole-3-carboxylic acid has a molecular weight of 259.03 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 24728170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).