(2-nitrophenyl)selanyl cyanate

C7H4N2O3Se — CID 11379526

IUPAC(2-nitrophenyl)selanyl cyanate
SMILESN#CO[Se]c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H4N2O3Se/c8-5-12-13-7-4-2-1-3-6(7)9(10)11/h1-4H
InChIKeyQDRXRBUXLFRISD-UHFFFAOYSA-N
MW243.08 g/mol
LogP0.34
Rot. Bonds3

About (2-nitrophenyl)selanyl cyanate

(2-nitrophenyl)selanyl cyanate (PubChem CID 11379526) has the molecular formula C7H4N2O3Se and a molecular weight of 243.08 g/mol. Its IUPAC name is (2-nitrophenyl)selanyl cyanate.

Molecular Properties

Compound Name(2-nitrophenyl)selanyl cyanate
PubChem CID11379526
Molecular FormulaC7H4N2O3Se
Molecular Weight243.08 g/mol
Exact Mass243.94
IUPAC Name(2-nitrophenyl)selanyl cyanate
SMILESN#CO[Se]c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H4N2O3Se/c8-5-12-13-7-4-2-1-3-6(7)9(10)11/h1-4H
InChIKeyQDRXRBUXLFRISD-UHFFFAOYSA-N
XLogP0.34
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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-hydroxyselanyl-2-nitrobenzene
CID 15565401
(2-nitrophenyl) selenohypochlorite
CID 71359588
acetonitrile;1,2-dinitrobenzene
CID 174895848
N-methyl-N-(2-nitrophenyl)selanylmethanamine
CID 14947914
cyano 2-nitrobenzoate
CID 154624336
azanide;1,2-dinitrobenzene;platinum
CID 158959684
1-bromo-2-nitrobenzene
CID 158366116
2,2-bis(2-nitrophenyl)acetonitrile
CID 2750302
2-nitroaniline;dihydrochloride
CID 69408891
2-nitroaniline;sulfane
CID 175331446
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
2-nitro-6-sulfanylbenzonitrile
CID 150896521

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)selanyl cyanate?
The IUPAC name of (2-nitrophenyl)selanyl cyanate (CID 11379526) is (2-nitrophenyl)selanyl cyanate.
What is the SMILES notation for (2-nitrophenyl)selanyl cyanate?
The canonical SMILES for (2-nitrophenyl)selanyl cyanate is N#CO[Se]c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl)selanyl cyanate?
The InChIKey is QDRXRBUXLFRISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3Se/c8-5-12-13-7-4-2-1-3-6(7)9(10)11/h1-4H.
What are the key properties of (2-nitrophenyl)selanyl cyanate?
(2-nitrophenyl)selanyl cyanate has a molecular weight of 243.08 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)selanyl cyanate is sourced from PubChem (CID 11379526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).