6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

C8H9FN2O2 — CID 83854750

IUPAC6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CCC(F)C2
InChIInChI=1S/C8H9FN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKeyBGFPIERGNZDKAW-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.93
Rot. Bonds1

About 6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 83854750) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID83854750
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CCC(F)C2
InChIInChI=1S/C8H9FN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKeyBGFPIERGNZDKAW-UHFFFAOYSA-N
XLogP0.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-4,5,6,7-tetrahydro-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-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 83854750) is 6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1CCC(F)C2.
What is the InChIKey of 6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is BGFPIERGNZDKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h4H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 184.17 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 83854750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).