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

C7H4FN3O3 — CID 24728156

IUPAC6-fluoro-4-nitro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(F)cc([N+](=O)[O-])c12
InChIInChI=1S/C7H4FN3O3/c8-3-1-4-6(7(12)10-9-4)5(2-3)11(13)14/h1-2H,(H2,9,10,12)
InChIKeyMDOWXHWFWNDJBI-UHFFFAOYSA-N
MW197.12 g/mol
LogP0.90
Rot. Bonds1

About 6-fluoro-4-nitro-1,2-dihydroindazol-3-one

6-fluoro-4-nitro-1,2-dihydroindazol-3-one (PubChem CID 24728156) has the molecular formula C7H4FN3O3 and a molecular weight of 197.12 g/mol. Its IUPAC name is 6-fluoro-4-nitro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-fluoro-4-nitro-1,2-dihydroindazol-3-one
PubChem CID24728156
Molecular FormulaC7H4FN3O3
Molecular Weight197.12 g/mol
Exact Mass197.02
IUPAC Name6-fluoro-4-nitro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(F)cc([N+](=O)[O-])c12
InChIInChI=1S/C7H4FN3O3/c8-3-1-4-6(7(12)10-9-4)5(2-3)11(13)14/h1-2H,(H2,9,10,12)
InChIKeyMDOWXHWFWNDJBI-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
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
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
2-Amino-6-nitrobenzamide
CID 54407937
4-Hydrazinyl-7-nitro-1,2-dihydroindazol-3-one
CID 4272497
2-amino-6-fluoro-N'-(3-nitrophenyl)benzohydrazide
CID 168298282
4,6-difluoro-1H-indazol-3-ol
CID 24728424

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-nitro-1,2-dihydroindazol-3-one?
The IUPAC name of 6-fluoro-4-nitro-1,2-dihydroindazol-3-one (CID 24728156) is 6-fluoro-4-nitro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-fluoro-4-nitro-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-fluoro-4-nitro-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(F)cc([N+](=O)[O-])c12.
What is the InChIKey of 6-fluoro-4-nitro-1,2-dihydroindazol-3-one?
The InChIKey is MDOWXHWFWNDJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O3/c8-3-1-4-6(7(12)10-9-4)5(2-3)11(13)14/h1-2H,(H2,9,10,12).
What are the key properties of 6-fluoro-4-nitro-1,2-dihydroindazol-3-one?
6-fluoro-4-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 6-fluoro-4-nitro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 24728156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).