5-nitro-2-phenylindazole

C13H9N3O2 — CID 2866090

IUPAC5-nitro-2-phenylindazole
SMILESO=[N+]([O-])c1ccc2nn(-c3ccccc3)cc2c1
InChIInChI=1S/C13H9N3O2/c17-16(18)12-6-7-13-10(8-12)9-15(14-13)11-4-2-1-3-5-11/h1-9H
InChIKeyYOEXSNSVJTVIRI-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.93
Rot. Bonds2

About 5-nitro-2-phenylindazole

5-nitro-2-phenylindazole (PubChem CID 2866090) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-nitro-2-phenylindazole.

Molecular Properties

Compound Name5-nitro-2-phenylindazole
PubChem CID2866090
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name5-nitro-2-phenylindazole
SMILESO=[N+]([O-])c1ccc2nn(-c3ccccc3)cc2c1
InChIInChI=1S/C13H9N3O2/c17-16(18)12-6-7-13-10(8-12)9-15(14-13)11-4-2-1-3-5-11/h1-9H
InChIKeyYOEXSNSVJTVIRI-UHFFFAOYSA-N
XLogP2.93
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-nitro-2-phenylindazole?
The IUPAC name of 5-nitro-2-phenylindazole (CID 2866090) is 5-nitro-2-phenylindazole.
What is the SMILES notation for 5-nitro-2-phenylindazole?
The canonical SMILES for 5-nitro-2-phenylindazole is O=[N+]([O-])c1ccc2nn(-c3ccccc3)cc2c1.
What is the InChIKey of 5-nitro-2-phenylindazole?
The InChIKey is YOEXSNSVJTVIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-16(18)12-6-7-13-10(8-12)9-15(14-13)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 5-nitro-2-phenylindazole?
5-nitro-2-phenylindazole has a molecular weight of 239.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-phenylindazole is sourced from PubChem (CID 2866090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).