3-(3-nitrophenyl)-1H-indazole

C13H9N3O2 — CID 134147571

IUPAC3-(3-nitrophenyl)-1H-indazole
SMILESO=[N+]([O-])c1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C13H9N3O2/c17-16(18)10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)14-15-13/h1-8H,(H,14,15)
InChIKeyCRVLYIIAMMNHRI-UHFFFAOYSA-N
MW239.23 g/mol
LogP3.14
Rot. Bonds2

About 3-(3-nitrophenyl)-1H-indazole

3-(3-nitrophenyl)-1H-indazole (PubChem CID 134147571) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-1H-indazole.

Molecular Properties

Compound Name3-(3-nitrophenyl)-1H-indazole
PubChem CID134147571
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name3-(3-nitrophenyl)-1H-indazole
SMILESO=[N+]([O-])c1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C13H9N3O2/c17-16(18)10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)14-15-13/h1-8H,(H,14,15)
InChIKeyCRVLYIIAMMNHRI-UHFFFAOYSA-N
XLogP3.14
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 53.14
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-(3-nitrophenyl)-1H-indazole?
The IUPAC name of 3-(3-nitrophenyl)-1H-indazole (CID 134147571) is 3-(3-nitrophenyl)-1H-indazole.
What is the SMILES notation for 3-(3-nitrophenyl)-1H-indazole?
The canonical SMILES for 3-(3-nitrophenyl)-1H-indazole is O=[N+]([O-])c1cccc(-c2n[nH]c3ccccc23)c1.
What is the InChIKey of 3-(3-nitrophenyl)-1H-indazole?
The InChIKey is CRVLYIIAMMNHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-16(18)10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)14-15-13/h1-8H,(H,14,15).
What are the key properties of 3-(3-nitrophenyl)-1H-indazole?
3-(3-nitrophenyl)-1H-indazole has a molecular weight of 239.23 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-1H-indazole is sourced from PubChem (CID 134147571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).