4-fluoro-7-nitro-1,2-dihydroindazol-3-one

C7H4FN3O3 — CID 3937499

IUPAC4-fluoro-7-nitro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2c([N+](=O)[O-])ccc(F)c12
InChIInChI=1S/C7H4FN3O3/c8-3-1-2-4(11(13)14)6-5(3)7(12)10-9-6/h1-2H,(H2,9,10,12)
InChIKeyOFIAUUASJYEPBK-UHFFFAOYSA-N
MW197.12 g/mol
LogP0.90
Rot. Bonds1

About 4-fluoro-7-nitro-1,2-dihydroindazol-3-one

4-fluoro-7-nitro-1,2-dihydroindazol-3-one (PubChem CID 3937499) has the molecular formula C7H4FN3O3 and a molecular weight of 197.12 g/mol. Its IUPAC name is 4-fluoro-7-nitro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name4-fluoro-7-nitro-1,2-dihydroindazol-3-one
PubChem CID3937499
Molecular FormulaC7H4FN3O3
Molecular Weight197.12 g/mol
Exact Mass197.02
IUPAC Name4-fluoro-7-nitro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2c([N+](=O)[O-])ccc(F)c12
InChIInChI=1S/C7H4FN3O3/c8-3-1-2-4(11(13)14)6-5(3)7(12)10-9-6/h1-2H,(H2,9,10,12)
InChIKeyOFIAUUASJYEPBK-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-nitro-1,2-dihydroindazol-3-one?
The IUPAC name of 4-fluoro-7-nitro-1,2-dihydroindazol-3-one (CID 3937499) is 4-fluoro-7-nitro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 4-fluoro-7-nitro-1,2-dihydroindazol-3-one?
The canonical SMILES for 4-fluoro-7-nitro-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2c([N+](=O)[O-])ccc(F)c12.
What is the InChIKey of 4-fluoro-7-nitro-1,2-dihydroindazol-3-one?
The InChIKey is OFIAUUASJYEPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O3/c8-3-1-2-4(11(13)14)6-5(3)7(12)10-9-6/h1-2H,(H2,9,10,12).
What are the key properties of 4-fluoro-7-nitro-1,2-dihydroindazol-3-one?
4-fluoro-7-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-7-nitro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 3937499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).