6-(2-fluoro-4-nitrophenoxy)-1H-indazole

C13H8FN3O3 — CID 58733360

IUPAC6-(2-fluoro-4-nitrophenoxy)-1H-indazole
SMILESO=[N+]([O-])c1ccc(Oc2ccc3cn[nH]c3c2)c(F)c1
InChIInChI=1S/C13H8FN3O3/c14-11-5-9(17(18)19)2-4-13(11)20-10-3-1-8-7-15-16-12(8)6-10/h1-7H,(H,15,16)
InChIKeyDNQBAGQXNISDOB-UHFFFAOYSA-N
MW273.22 g/mol
LogP3.40
Rot. Bonds3

About 6-(2-fluoro-4-nitrophenoxy)-1H-indazole

6-(2-fluoro-4-nitrophenoxy)-1H-indazole (PubChem CID 58733360) has the molecular formula C13H8FN3O3 and a molecular weight of 273.22 g/mol. Its IUPAC name is 6-(2-fluoro-4-nitrophenoxy)-1H-indazole.

Molecular Properties

Compound Name6-(2-fluoro-4-nitrophenoxy)-1H-indazole
PubChem CID58733360
Molecular FormulaC13H8FN3O3
Molecular Weight273.22 g/mol
Exact Mass273.05
IUPAC Name6-(2-fluoro-4-nitrophenoxy)-1H-indazole
SMILESO=[N+]([O-])c1ccc(Oc2ccc3cn[nH]c3c2)c(F)c1
InChIInChI=1S/C13H8FN3O3/c14-11-5-9(17(18)19)2-4-13(11)20-10-3-1-8-7-15-16-12(8)6-10/h1-7H,(H,15,16)
InChIKeyDNQBAGQXNISDOB-UHFFFAOYSA-N
XLogP3.40
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-(2-fluoro-4-nitrophenoxy)-1H-indazole?
The IUPAC name of 6-(2-fluoro-4-nitrophenoxy)-1H-indazole (CID 58733360) is 6-(2-fluoro-4-nitrophenoxy)-1H-indazole.
What is the SMILES notation for 6-(2-fluoro-4-nitrophenoxy)-1H-indazole?
The canonical SMILES for 6-(2-fluoro-4-nitrophenoxy)-1H-indazole is O=[N+]([O-])c1ccc(Oc2ccc3cn[nH]c3c2)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-nitrophenoxy)-1H-indazole?
The InChIKey is DNQBAGQXNISDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O3/c14-11-5-9(17(18)19)2-4-13(11)20-10-3-1-8-7-15-16-12(8)6-10/h1-7H,(H,15,16).
What are the key properties of 6-(2-fluoro-4-nitrophenoxy)-1H-indazole?
6-(2-fluoro-4-nitrophenoxy)-1H-indazole has a molecular weight of 273.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-nitrophenoxy)-1H-indazole is sourced from PubChem (CID 58733360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).