4-(2-nitrophenyl)selenadiazole

C8H5N3O2Se — CID 12031009

IUPAC4-(2-nitrophenyl)selenadiazole
SMILESO=[N+]([O-])c1ccccc1-c1c[se]nn1
InChIInChI=1S/C8H5N3O2Se/c12-11(13)8-4-2-1-3-6(8)7-5-14-10-9-7/h1-5H
InChIKeyZTAJOEHIMVWWMH-UHFFFAOYSA-N
MW254.11 g/mol
LogP1.11
Rot. Bonds2

About 4-(2-nitrophenyl)selenadiazole

4-(2-nitrophenyl)selenadiazole (PubChem CID 12031009) has the molecular formula C8H5N3O2Se and a molecular weight of 254.11 g/mol. Its IUPAC name is 4-(2-nitrophenyl)selenadiazole.

Molecular Properties

Compound Name4-(2-nitrophenyl)selenadiazole
PubChem CID12031009
Molecular FormulaC8H5N3O2Se
Molecular Weight254.11 g/mol
Exact Mass254.95
IUPAC Name4-(2-nitrophenyl)selenadiazole
SMILESO=[N+]([O-])c1ccccc1-c1c[se]nn1
InChIInChI=1S/C8H5N3O2Se/c12-11(13)8-4-2-1-3-6(8)7-5-14-10-9-7/h1-5H
InChIKeyZTAJOEHIMVWWMH-UHFFFAOYSA-N
XLogP1.11
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-Nitrophenyl)diazoethane
CID 10397330
6-Nitro-4,5-dihydrobenzo[e][1,2,3]benzoselenadiazole
CID 3011118
7-Nitro-4,5-dihydrobenzo[e][1,2,3]benzoselenadiazole
CID 3011119
4-(2-Nitrophenyl)-1,2,3-thiadiazole
CID 12031008
4-(4-Nitrophenyl)-1,2,3-selenadiazole
CID 4386498
4-(2-Chloro-5-nitrophenyl)-1,2,3-selenadiazole
CID 56970744
4-(2-Aminophenyl)-1,2,3-selenadiazole
CID 12031010
4-(3-Nitrophenyl)-1,2,3-selenadiazole
CID 13302729
3-Methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole
CID 14343206
3-Methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole
CID 14343207
3-Methyl-5-(4-nitrophenyl)-1,2-selenazole
CID 14343208
3-Methyl-5-(2-nitrophenyl)-1,2-selenazole
CID 14343209

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)selenadiazole?
The IUPAC name of 4-(2-nitrophenyl)selenadiazole (CID 12031009) is 4-(2-nitrophenyl)selenadiazole.
What is the SMILES notation for 4-(2-nitrophenyl)selenadiazole?
The canonical SMILES for 4-(2-nitrophenyl)selenadiazole is O=[N+]([O-])c1ccccc1-c1c[se]nn1.
What is the InChIKey of 4-(2-nitrophenyl)selenadiazole?
The InChIKey is ZTAJOEHIMVWWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2Se/c12-11(13)8-4-2-1-3-6(8)7-5-14-10-9-7/h1-5H.
What are the key properties of 4-(2-nitrophenyl)selenadiazole?
4-(2-nitrophenyl)selenadiazole has a molecular weight of 254.11 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)selenadiazole is sourced from PubChem (CID 12031009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).