4-fluoro-5-nitro-1,2-dihydroindazol-3-one

C7H4FN3O3 — CID 24729293

IUPAC4-fluoro-5-nitro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc([N+](=O)[O-])c(F)c12
InChIInChI=1S/C7H4FN3O3/c8-6-4(11(13)14)2-1-3-5(6)7(12)10-9-3/h1-2H,(H2,9,10,12)
InChIKeyZREKIIXTDGUEED-UHFFFAOYSA-N
MW197.12 g/mol
LogP0.90
Rot. Bonds1

About 4-fluoro-5-nitro-1,2-dihydroindazol-3-one

4-fluoro-5-nitro-1,2-dihydroindazol-3-one (PubChem CID 24729293) has the molecular formula C7H4FN3O3 and a molecular weight of 197.12 g/mol. Its IUPAC name is 4-fluoro-5-nitro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name4-fluoro-5-nitro-1,2-dihydroindazol-3-one
PubChem CID24729293
Molecular FormulaC7H4FN3O3
Molecular Weight197.12 g/mol
Exact Mass197.02
IUPAC Name4-fluoro-5-nitro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc([N+](=O)[O-])c(F)c12
InChIInChI=1S/C7H4FN3O3/c8-6-4(11(13)14)2-1-3-5(6)7(12)10-9-3/h1-2H,(H2,9,10,12)
InChIKeyZREKIIXTDGUEED-UHFFFAOYSA-N
XLogP0.90
TPSA91.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 50.90
H-Bond Donors ≤ 52
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

Indazolinone
CID 81829
o-Nitrobenzohydrazide
CID 3781218
2-Amino-5-nitrobenzamide
CID 97665
6-fluoro-1H-indazol-3-ol
CID 24728218
1,2-dihydro-6-nitro-3H-indazol-3-one
CID 3264479
2,3-Dihydro-5-nitro-1H-indazol-3-one
CID 5374661
6-Nitro-3,4-dihydro-1,2,3-benzotriazin-4-one
CID 135459373
1-[(2-fluorophenyl)methyl]-5-nitro-2H-indazol-3-one
CID 10827124
4-fluoro-1H-indazol-3-ol
CID 2810172
5-fluoro-1H-indazol-3-ol
CID 24728240
7-Nitro-1,2-dihydroindazol-3-one
CID 5708331
1-Methyl-5-nitro-1,2-dihydro-indazol-3-one
CID 14061989

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-nitro-1,2-dihydroindazol-3-one?
The IUPAC name of 4-fluoro-5-nitro-1,2-dihydroindazol-3-one (CID 24729293) is 4-fluoro-5-nitro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 4-fluoro-5-nitro-1,2-dihydroindazol-3-one?
The canonical SMILES for 4-fluoro-5-nitro-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2ccc([N+](=O)[O-])c(F)c12.
What is the InChIKey of 4-fluoro-5-nitro-1,2-dihydroindazol-3-one?
The InChIKey is ZREKIIXTDGUEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O3/c8-6-4(11(13)14)2-1-3-5(6)7(12)10-9-3/h1-2H,(H2,9,10,12).
What are the key properties of 4-fluoro-5-nitro-1,2-dihydroindazol-3-one?
4-fluoro-5-nitro-1,2-dihydroindazol-3-one has a molecular weight of 197.12 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-nitro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 24729293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).