4-(4-nitrophenyl)-1,3-selenazole

C9H6N2O2Se — CID 11253789

IUPAC4-(4-nitrophenyl)-1,3-selenazole
SMILESO=[N+]([O-])c1ccc(-c2c[se]cn2)cc1
InChIInChI=1S/C9H6N2O2Se/c12-11(13)8-3-1-7(2-4-8)9-5-14-6-10-9/h1-6H
InChIKeySXHQIFQCCXUYCV-UHFFFAOYSA-N
MW253.12 g/mol
LogP1.71
Rot. Bonds2

About 4-(4-nitrophenyl)-1,3-selenazole

4-(4-nitrophenyl)-1,3-selenazole (PubChem CID 11253789) has the molecular formula C9H6N2O2Se and a molecular weight of 253.12 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-1,3-selenazole.

Molecular Properties

Compound Name4-(4-nitrophenyl)-1,3-selenazole
PubChem CID11253789
Molecular FormulaC9H6N2O2Se
Molecular Weight253.12 g/mol
Exact Mass253.96
IUPAC Name4-(4-nitrophenyl)-1,3-selenazole
SMILESO=[N+]([O-])c1ccc(-c2c[se]cn2)cc1
InChIInChI=1S/C9H6N2O2Se/c12-11(13)8-3-1-7(2-4-8)9-5-14-6-10-9/h1-6H
InChIKeySXHQIFQCCXUYCV-UHFFFAOYSA-N
XLogP1.71
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)-1,3-selenazole?
The IUPAC name of 4-(4-nitrophenyl)-1,3-selenazole (CID 11253789) is 4-(4-nitrophenyl)-1,3-selenazole.
What is the SMILES notation for 4-(4-nitrophenyl)-1,3-selenazole?
The canonical SMILES for 4-(4-nitrophenyl)-1,3-selenazole is O=[N+]([O-])c1ccc(-c2c[se]cn2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)-1,3-selenazole?
The InChIKey is SXHQIFQCCXUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2Se/c12-11(13)8-3-1-7(2-4-8)9-5-14-6-10-9/h1-6H.
What are the key properties of 4-(4-nitrophenyl)-1,3-selenazole?
4-(4-nitrophenyl)-1,3-selenazole has a molecular weight of 253.12 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-1,3-selenazole is sourced from PubChem (CID 11253789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).