3-bromo-4-fluoro-6-nitro-2H-indazole

C7H3BrFN3O2 — CID 24728289

IUPAC3-bromo-4-fluoro-6-nitro-2H-indazole
SMILESO=[N+]([O-])c1cc(F)c2c(Br)[nH]nc2c1
InChIInChI=1S/C7H3BrFN3O2/c8-7-6-4(9)1-3(12(13)14)2-5(6)10-11-7/h1-2H,(H,10,11)
InChIKeyDAOQXVOEFDRODE-UHFFFAOYSA-N
MW260.02 g/mol
LogP2.37
Rot. Bonds1

About 3-bromo-4-fluoro-6-nitro-2H-indazole

3-bromo-4-fluoro-6-nitro-2H-indazole (PubChem CID 24728289) has the molecular formula C7H3BrFN3O2 and a molecular weight of 260.02 g/mol. Its IUPAC name is 3-bromo-4-fluoro-6-nitro-2H-indazole.

Molecular Properties

Compound Name3-bromo-4-fluoro-6-nitro-2H-indazole
PubChem CID24728289
Molecular FormulaC7H3BrFN3O2
Molecular Weight260.02 g/mol
Exact Mass258.94
IUPAC Name3-bromo-4-fluoro-6-nitro-2H-indazole
SMILESO=[N+]([O-])c1cc(F)c2c(Br)[nH]nc2c1
InChIInChI=1S/C7H3BrFN3O2/c8-7-6-4(9)1-3(12(13)14)2-5(6)10-11-7/h1-2H,(H,10,11)
InChIKeyDAOQXVOEFDRODE-UHFFFAOYSA-N
XLogP2.37
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.02
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-6-nitro-2H-indazole?
The IUPAC name of 3-bromo-4-fluoro-6-nitro-2H-indazole (CID 24728289) is 3-bromo-4-fluoro-6-nitro-2H-indazole.
What is the SMILES notation for 3-bromo-4-fluoro-6-nitro-2H-indazole?
The canonical SMILES for 3-bromo-4-fluoro-6-nitro-2H-indazole is O=[N+]([O-])c1cc(F)c2c(Br)[nH]nc2c1.
What is the InChIKey of 3-bromo-4-fluoro-6-nitro-2H-indazole?
The InChIKey is DAOQXVOEFDRODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFN3O2/c8-7-6-4(9)1-3(12(13)14)2-5(6)10-11-7/h1-2H,(H,10,11).
What are the key properties of 3-bromo-4-fluoro-6-nitro-2H-indazole?
3-bromo-4-fluoro-6-nitro-2H-indazole has a molecular weight of 260.02 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-6-nitro-2H-indazole is sourced from PubChem (CID 24728289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).