3-fluoro-5-nitro-2H-indazole

C7H4FN3O2 — CID 68616524

IUPAC3-fluoro-5-nitro-2H-indazole
SMILESO=[N+]([O-])c1ccc2n[nH]c(F)c2c1
InChIInChI=1S/C7H4FN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)
InChIKeyXRNPEUYCCUQZIW-UHFFFAOYSA-N
MW181.13 g/mol
LogP1.61
Rot. Bonds1

About 3-fluoro-5-nitro-2H-indazole

3-fluoro-5-nitro-2H-indazole (PubChem CID 68616524) has the molecular formula C7H4FN3O2 and a molecular weight of 181.13 g/mol. Its IUPAC name is 3-fluoro-5-nitro-2H-indazole.

Molecular Properties

Compound Name3-fluoro-5-nitro-2H-indazole
PubChem CID68616524
Molecular FormulaC7H4FN3O2
Molecular Weight181.13 g/mol
Exact Mass181.03
IUPAC Name3-fluoro-5-nitro-2H-indazole
SMILESO=[N+]([O-])c1ccc2n[nH]c(F)c2c1
InChIInChI=1S/C7H4FN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)
InChIKeyXRNPEUYCCUQZIW-UHFFFAOYSA-N
XLogP1.61
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-nitro-2H-indazole?
The IUPAC name of 3-fluoro-5-nitro-2H-indazole (CID 68616524) is 3-fluoro-5-nitro-2H-indazole.
What is the SMILES notation for 3-fluoro-5-nitro-2H-indazole?
The canonical SMILES for 3-fluoro-5-nitro-2H-indazole is O=[N+]([O-])c1ccc2n[nH]c(F)c2c1.
What is the InChIKey of 3-fluoro-5-nitro-2H-indazole?
The InChIKey is XRNPEUYCCUQZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10).
What are the key properties of 3-fluoro-5-nitro-2H-indazole?
3-fluoro-5-nitro-2H-indazole has a molecular weight of 181.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-nitro-2H-indazole is sourced from PubChem (CID 68616524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).