3-(3-chloropropyl)-7-fluoro-2H-indazole

C10H10ClFN2 — CID 22735851

IUPAC3-(3-chloropropyl)-7-fluoro-2H-indazole
SMILESFc1cccc2c(CCCCl)[nH]nc12
InChIInChI=1S/C10H10ClFN2/c11-6-2-5-9-7-3-1-4-8(12)10(7)14-13-9/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyGDFJCURHASEZSP-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.87
Rot. Bonds3

About 3-(3-chloropropyl)-7-fluoro-2H-indazole

3-(3-chloropropyl)-7-fluoro-2H-indazole (PubChem CID 22735851) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 3-(3-chloropropyl)-7-fluoro-2H-indazole.

Molecular Properties

Compound Name3-(3-chloropropyl)-7-fluoro-2H-indazole
PubChem CID22735851
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name3-(3-chloropropyl)-7-fluoro-2H-indazole
SMILESFc1cccc2c(CCCCl)[nH]nc12
InChIInChI=1S/C10H10ClFN2/c11-6-2-5-9-7-3-1-4-8(12)10(7)14-13-9/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyGDFJCURHASEZSP-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-chloropropyl)-7-fluoro-2H-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 3-(3-chloropropyl)-7-fluoro-2H-indazole?
The IUPAC name of 3-(3-chloropropyl)-7-fluoro-2H-indazole (CID 22735851) is 3-(3-chloropropyl)-7-fluoro-2H-indazole.
What is the SMILES notation for 3-(3-chloropropyl)-7-fluoro-2H-indazole?
The canonical SMILES for 3-(3-chloropropyl)-7-fluoro-2H-indazole is Fc1cccc2c(CCCCl)[nH]nc12.
What is the InChIKey of 3-(3-chloropropyl)-7-fluoro-2H-indazole?
The InChIKey is GDFJCURHASEZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c11-6-2-5-9-7-3-1-4-8(12)10(7)14-13-9/h1,3-4H,2,5-6H2,(H,13,14).
What are the key properties of 3-(3-chloropropyl)-7-fluoro-2H-indazole?
3-(3-chloropropyl)-7-fluoro-2H-indazole has a molecular weight of 212.66 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl)-7-fluoro-2H-indazole is sourced from PubChem (CID 22735851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).