4-(2-chloro-5-nitrophenyl)selenadiazole

C8H4ClN3O2Se — CID 56970744

IUPAC4-(2-chloro-5-nitrophenyl)selenadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2c[se]nn2)c1
InChIInChI=1S/C8H4ClN3O2Se/c9-7-2-1-5(12(13)14)3-6(7)8-4-15-11-10-8/h1-4H
InChIKeyMCELTJFKTSQMFD-UHFFFAOYSA-N
MW288.55 g/mol
LogP1.76
Rot. Bonds2

About 4-(2-chloro-5-nitrophenyl)selenadiazole

4-(2-chloro-5-nitrophenyl)selenadiazole (PubChem CID 56970744) has the molecular formula C8H4ClN3O2Se and a molecular weight of 288.55 g/mol. Its IUPAC name is 4-(2-chloro-5-nitrophenyl)selenadiazole.

Molecular Properties

Compound Name4-(2-chloro-5-nitrophenyl)selenadiazole
PubChem CID56970744
Molecular FormulaC8H4ClN3O2Se
Molecular Weight288.55 g/mol
Exact Mass288.92
IUPAC Name4-(2-chloro-5-nitrophenyl)selenadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2c[se]nn2)c1
InChIInChI=1S/C8H4ClN3O2Se/c9-7-2-1-5(12(13)14)3-6(7)8-4-15-11-10-8/h1-4H
InChIKeyMCELTJFKTSQMFD-UHFFFAOYSA-N
XLogP1.76
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.55
LogP ≤ 51.76
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

3-Chloro-6-(3-nitrophenyl)pyridazine
CID 12257504
4-(2-Chloro-5-nitrophenyl)-1,2,3-thiadiazole
CID 90964903
5-Chloro-4-(3-nitrophenyl)-1,2,3-thiadiazole
CID 122163435
4-(4-Nitrophenyl)-1,2,3-selenadiazole
CID 4386498
1-{2-Chloro-5-nitrophenyl}ethanone oxime
CID 5409392
4-chloro-5-(3-nitrophenyl)-2H-triazole
CID 141453856
4-(2-Nitrophenyl)-1,2,3-selenadiazole
CID 12031009
4-(3-Nitrophenyl)-1,2,3-selenadiazole
CID 13302729
3-Chloro-6-(4-fluoro-3-nitrophenyl)pyridazine
CID 33676236
N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine
CID 821802
(NE)-N-[1-(2-chloro-5-nitrophenyl)ethylidene]hydroxylamine
CID 6947081
5-Methyl-6-(m-nitrophenyl)-3-chloropyridazine
CID 20398287

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-nitrophenyl)selenadiazole?
The IUPAC name of 4-(2-chloro-5-nitrophenyl)selenadiazole (CID 56970744) is 4-(2-chloro-5-nitrophenyl)selenadiazole.
What is the SMILES notation for 4-(2-chloro-5-nitrophenyl)selenadiazole?
The canonical SMILES for 4-(2-chloro-5-nitrophenyl)selenadiazole is O=[N+]([O-])c1ccc(Cl)c(-c2c[se]nn2)c1.
What is the InChIKey of 4-(2-chloro-5-nitrophenyl)selenadiazole?
The InChIKey is MCELTJFKTSQMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O2Se/c9-7-2-1-5(12(13)14)3-6(7)8-4-15-11-10-8/h1-4H.
What are the key properties of 4-(2-chloro-5-nitrophenyl)selenadiazole?
4-(2-chloro-5-nitrophenyl)selenadiazole has a molecular weight of 288.55 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-nitrophenyl)selenadiazole is sourced from PubChem (CID 56970744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).