2-(2-nitrophenyl)selenophene

C10H7NO2Se — CID 87392116

IUPAC2-(2-nitrophenyl)selenophene
SMILESO=[N+]([O-])c1ccccc1-c1ccc[se]1
InChIInChI=1S/C10H7NO2Se/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H
InChIKeyQEOCGEQUNODZKP-UHFFFAOYSA-N
MW252.13 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-nitrophenyl)selenophene

2-(2-nitrophenyl)selenophene (PubChem CID 87392116) has the molecular formula C10H7NO2Se and a molecular weight of 252.13 g/mol. Its IUPAC name is 2-(2-nitrophenyl)selenophene.

Molecular Properties

Compound Name2-(2-nitrophenyl)selenophene
PubChem CID87392116
Molecular FormulaC10H7NO2Se
Molecular Weight252.13 g/mol
Exact Mass252.96
IUPAC Name2-(2-nitrophenyl)selenophene
SMILESO=[N+]([O-])c1ccccc1-c1ccc[se]1
InChIInChI=1S/C10H7NO2Se/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H
InChIKeyQEOCGEQUNODZKP-UHFFFAOYSA-N
XLogP2.32
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2-nitrophenyl)selenophene?
The IUPAC name of 2-(2-nitrophenyl)selenophene (CID 87392116) is 2-(2-nitrophenyl)selenophene.
What is the SMILES notation for 2-(2-nitrophenyl)selenophene?
The canonical SMILES for 2-(2-nitrophenyl)selenophene is O=[N+]([O-])c1ccccc1-c1ccc[se]1.
What is the InChIKey of 2-(2-nitrophenyl)selenophene?
The InChIKey is QEOCGEQUNODZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2Se/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H.
What are the key properties of 2-(2-nitrophenyl)selenophene?
2-(2-nitrophenyl)selenophene has a molecular weight of 252.13 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)selenophene is sourced from PubChem (CID 87392116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).