3,5-dinitro-2H-indazole

C7H4N4O4 — CID 135438114

IUPAC3,5-dinitro-2H-indazole
SMILESO=[N+]([O-])c1ccc2n[nH]c([N+](=O)[O-])c2c1
InChIInChI=1S/C7H4N4O4/c12-10(13)4-1-2-6-5(3-4)7(9-8-6)11(14)15/h1-3H,(H,8,9)
InChIKeyWETUVJKNAJERIU-UHFFFAOYSA-N
MW208.13 g/mol
LogP1.38
Rot. Bonds2

About 3,5-dinitro-2H-indazole

3,5-dinitro-2H-indazole (PubChem CID 135438114) has the molecular formula C7H4N4O4 and a molecular weight of 208.13 g/mol. Its IUPAC name is 3,5-dinitro-2H-indazole.

Molecular Properties

Compound Name3,5-dinitro-2H-indazole
PubChem CID135438114
Molecular FormulaC7H4N4O4
Molecular Weight208.13 g/mol
Exact Mass208.02
IUPAC Name3,5-dinitro-2H-indazole
SMILESO=[N+]([O-])c1ccc2n[nH]c([N+](=O)[O-])c2c1
InChIInChI=1S/C7H4N4O4/c12-10(13)4-1-2-6-5(3-4)7(9-8-6)11(14)15/h1-3H,(H,8,9)
InChIKeyWETUVJKNAJERIU-UHFFFAOYSA-N
XLogP1.38
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3,5-dinitro-2H-indazole?
The IUPAC name of 3,5-dinitro-2H-indazole (CID 135438114) is 3,5-dinitro-2H-indazole.
What is the SMILES notation for 3,5-dinitro-2H-indazole?
The canonical SMILES for 3,5-dinitro-2H-indazole is O=[N+]([O-])c1ccc2n[nH]c([N+](=O)[O-])c2c1.
What is the InChIKey of 3,5-dinitro-2H-indazole?
The InChIKey is WETUVJKNAJERIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O4/c12-10(13)4-1-2-6-5(3-4)7(9-8-6)11(14)15/h1-3H,(H,8,9).
What are the key properties of 3,5-dinitro-2H-indazole?
3,5-dinitro-2H-indazole has a molecular weight of 208.13 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-2H-indazole is sourced from PubChem (CID 135438114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).