4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one

C7H3F2N3O3 — CID 54583001

IUPAC4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2c([N+](=O)[O-])c(F)cc(F)c12
InChIInChI=1S/C7H3F2N3O3/c8-2-1-3(9)6(12(14)15)5-4(2)7(13)11-10-5/h1H,(H2,10,11,13)
InChIKeyRXVLHIDBDAGCRZ-UHFFFAOYSA-N
MW215.11 g/mol
LogP1.04
Rot. Bonds1

About 4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one

4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one (PubChem CID 54583001) has the molecular formula C7H3F2N3O3 and a molecular weight of 215.11 g/mol. Its IUPAC name is 4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one
PubChem CID54583001
Molecular FormulaC7H3F2N3O3
Molecular Weight215.11 g/mol
Exact Mass215.01
IUPAC Name4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2c([N+](=O)[O-])c(F)cc(F)c12
InChIInChI=1S/C7H3F2N3O3/c8-2-1-3(9)6(12(14)15)5-4(2)7(13)11-10-5/h1H,(H2,10,11,13)
InChIKeyRXVLHIDBDAGCRZ-UHFFFAOYSA-N
XLogP1.04
TPSA91.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 51.04
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

2,3-Dihydro-5-nitro-1H-indazol-3-one
CID 5374661
7-Nitro-1,2-dihydroindazol-3-one
CID 5708331
4-Hydrazinyl-7-nitro-1,2-dihydroindazol-3-one
CID 4272497
2-Amino-6-fluoro-3-nitrobenzamide
CID 103691919
4-Fluoro-3-hydroxy-7-nitro 1H-indazole
CID 3937499
Di-nitro benzohydrazide
CID 23288491
7-Amino-4-fluoro-1,2-dihydro-3H-indazol-3-one
CID 27274661
7-Fluoro-5-nitro-1H-indazol-3-ol
CID 89666845
1-fluoro-5-nitro-2H-indazol-3-one
CID 141442618
6-Fluoro-4-nitro-1,2-dihydro-3H-indazol-3-one
CID 24728156
4-Fluoro-3-hydroxy-5-nitro-1H-indazole
CID 24729293
4,5-Difluoro-2-nitrobenzohydrazide
CID 61990053

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one?
The IUPAC name of 4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one (CID 54583001) is 4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one.
What is the SMILES notation for 4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one?
The canonical SMILES for 4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2c([N+](=O)[O-])c(F)cc(F)c12.
What is the InChIKey of 4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one?
The InChIKey is RXVLHIDBDAGCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2N3O3/c8-2-1-3(9)6(12(14)15)5-4(2)7(13)11-10-5/h1H,(H2,10,11,13).
What are the key properties of 4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one?
4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one has a molecular weight of 215.11 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-7-nitro-1,2-dihydroindazol-3-one is sourced from PubChem (CID 54583001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).