4-nitro-1H-indazole

C7H5N3O2 — CID 18057

IUPAC4-nitro-1H-indazole
SMILESO=[N+]([O-])c1cccc2[nH]ncc12
InChIInChI=1S/C7H5N3O2/c11-10(12)7-3-1-2-6-5(7)4-8-9-6/h1-4H,(H,8,9)
InChIKeyWBTVZVUYPVQEIF-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.47
Rot. Bonds1

About 4-nitro-1H-indazole

4-nitro-1H-indazole (PubChem CID 18057) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-nitro-1H-indazole.

Molecular Properties

Compound Name4-nitro-1H-indazole
PubChem CID18057
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name4-nitro-1H-indazole
SMILESO=[N+]([O-])c1cccc2[nH]ncc12
InChIInChI=1S/C7H5N3O2/c11-10(12)7-3-1-2-6-5(7)4-8-9-6/h1-4H,(H,8,9)
InChIKeyWBTVZVUYPVQEIF-UHFFFAOYSA-N
XLogP1.47
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.47
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 4-nitro-1H-indazole?
The IUPAC name of 4-nitro-1H-indazole (CID 18057) is 4-nitro-1H-indazole.
What is the SMILES notation for 4-nitro-1H-indazole?
The canonical SMILES for 4-nitro-1H-indazole is O=[N+]([O-])c1cccc2[nH]ncc12.
What is the InChIKey of 4-nitro-1H-indazole?
The InChIKey is WBTVZVUYPVQEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-10(12)7-3-1-2-6-5(7)4-8-9-6/h1-4H,(H,8,9).
What are the key properties of 4-nitro-1H-indazole?
4-nitro-1H-indazole has a molecular weight of 163.14 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1H-indazole is sourced from PubChem (CID 18057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).