2-(3-nitrophenyl)quinoxaline

C14H9N3O2 — CID 737736

IUPAC2-(3-nitrophenyl)quinoxaline
SMILESO=[N+]([O-])c1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C14H9N3O2/c18-17(19)11-5-3-4-10(8-11)14-9-15-12-6-1-2-7-13(12)16-14/h1-9H
InChIKeyXTBOWTFVCVWSTE-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.20
Rot. Bonds2

About 2-(3-nitrophenyl)quinoxaline

2-(3-nitrophenyl)quinoxaline (PubChem CID 737736) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-(3-nitrophenyl)quinoxaline.

Molecular Properties

Compound Name2-(3-nitrophenyl)quinoxaline
PubChem CID737736
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name2-(3-nitrophenyl)quinoxaline
SMILESO=[N+]([O-])c1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C14H9N3O2/c18-17(19)11-5-3-4-10(8-11)14-9-15-12-6-1-2-7-13(12)16-14/h1-9H
InChIKeyXTBOWTFVCVWSTE-UHFFFAOYSA-N
XLogP3.20
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(3-nitrophenyl)quinoxaline?
The IUPAC name of 2-(3-nitrophenyl)quinoxaline (CID 737736) is 2-(3-nitrophenyl)quinoxaline.
What is the SMILES notation for 2-(3-nitrophenyl)quinoxaline?
The canonical SMILES for 2-(3-nitrophenyl)quinoxaline is O=[N+]([O-])c1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-(3-nitrophenyl)quinoxaline?
The InChIKey is XTBOWTFVCVWSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-17(19)11-5-3-4-10(8-11)14-9-15-12-6-1-2-7-13(12)16-14/h1-9H.
What are the key properties of 2-(3-nitrophenyl)quinoxaline?
2-(3-nitrophenyl)quinoxaline has a molecular weight of 251.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)quinoxaline is sourced from PubChem (CID 737736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).