6-(4-fluorophenyl)-5-nitro-1H-indazole

C13H8FN3O2 — CID 176659383

IUPAC6-(4-fluorophenyl)-5-nitro-1H-indazole
SMILESO=[N+]([O-])c1cc2cn[nH]c2cc1-c1ccc(F)cc1
InChIInChI=1S/C13H8FN3O2/c14-10-3-1-8(2-4-10)11-6-12-9(7-15-16-12)5-13(11)17(18)19/h1-7H,(H,15,16)
InChIKeyBKEFRKLZKPZWGQ-UHFFFAOYSA-N
MW257.22 g/mol
LogP3.28
Rot. Bonds2

About 6-(4-fluorophenyl)-5-nitro-1H-indazole

6-(4-fluorophenyl)-5-nitro-1H-indazole (PubChem CID 176659383) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-nitro-1H-indazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-nitro-1H-indazole
PubChem CID176659383
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name6-(4-fluorophenyl)-5-nitro-1H-indazole
SMILESO=[N+]([O-])c1cc2cn[nH]c2cc1-c1ccc(F)cc1
InChIInChI=1S/C13H8FN3O2/c14-10-3-1-8(2-4-10)11-6-12-9(7-15-16-12)5-13(11)17(18)19/h1-7H,(H,15,16)
InChIKeyBKEFRKLZKPZWGQ-UHFFFAOYSA-N
XLogP3.28
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 53.28
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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Related Compounds

7-Nitroindazole
CID 1893
5-Nitroindazole
CID 21501
6-Nitroindazole
CID 24239
4-Nitroindazole
CID 18057
3-(3-nitrophenyl)-1H-pyrazole
CID 2737070
6-(trifluoromethyl)-1H-indazole
CID 21455599
6-Methyl-1H-indazole
CID 12639191
6-methyl-7-nitro-1H-indazole
CID 1480032
4-phenyl-6-(trifluoromethyl)-1H-indazole
CID 71735205
6-methyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole
CID 90645460
6-methyl-4-phenyl-1H-indazole
CID 127046306
5-Nitro-3-phenyl-1H-indazole
CID 617444

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-nitro-1H-indazole?
The IUPAC name of 6-(4-fluorophenyl)-5-nitro-1H-indazole (CID 176659383) is 6-(4-fluorophenyl)-5-nitro-1H-indazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-nitro-1H-indazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-nitro-1H-indazole is O=[N+]([O-])c1cc2cn[nH]c2cc1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-nitro-1H-indazole?
The InChIKey is BKEFRKLZKPZWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-10-3-1-8(2-4-10)11-6-12-9(7-15-16-12)5-13(11)17(18)19/h1-7H,(H,15,16).
What are the key properties of 6-(4-fluorophenyl)-5-nitro-1H-indazole?
6-(4-fluorophenyl)-5-nitro-1H-indazole has a molecular weight of 257.22 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-nitro-1H-indazole is sourced from PubChem (CID 176659383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).