7-nitro-1H-indazole

C7H5N3O2 — CID 1893

IUPAC7-nitro-1H-indazole
SMILESO=[N+]([O-])c1cccc2cn[nH]c12
InChIInChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
InChIKeyPQCAUHUKTBHUSA-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.47
Rot. Bonds1

About 7-nitro-1H-indazole

7-nitro-1H-indazole (PubChem CID 1893) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 7-nitro-1H-indazole.

Molecular Properties

Compound Name7-nitro-1H-indazole
PubChem CID1893
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name7-nitro-1H-indazole
SMILESO=[N+]([O-])c1cccc2cn[nH]c12
InChIInChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
InChIKeyPQCAUHUKTBHUSA-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 7-nitro-1H-indazole?
The IUPAC name of 7-nitro-1H-indazole (CID 1893) is 7-nitro-1H-indazole.
What is the SMILES notation for 7-nitro-1H-indazole?
The canonical SMILES for 7-nitro-1H-indazole is O=[N+]([O-])c1cccc2cn[nH]c12.
What is the InChIKey of 7-nitro-1H-indazole?
The InChIKey is PQCAUHUKTBHUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9).
What are the key properties of 7-nitro-1H-indazole?
7-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 7-nitro-1H-indazole is sourced from PubChem (CID 1893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).