2-(2-chloro-4-nitrophenyl)quinoxaline

C14H8ClN3O2 — CID 134092942

IUPAC2-(2-chloro-4-nitrophenyl)quinoxaline
SMILESO=[N+]([O-])c1ccc(-c2cnc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C14H8ClN3O2/c15-11-7-9(18(19)20)5-6-10(11)14-8-16-12-3-1-2-4-13(12)17-14/h1-8H
InChIKeyHFFQSUVRFXTMPE-UHFFFAOYSA-N
MW285.69 g/mol
LogP3.86
Rot. Bonds2

About 2-(2-chloro-4-nitrophenyl)quinoxaline

2-(2-chloro-4-nitrophenyl)quinoxaline (PubChem CID 134092942) has the molecular formula C14H8ClN3O2 and a molecular weight of 285.69 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenyl)quinoxaline.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenyl)quinoxaline
PubChem CID134092942
Molecular FormulaC14H8ClN3O2
Molecular Weight285.69 g/mol
Exact Mass285.03
IUPAC Name2-(2-chloro-4-nitrophenyl)quinoxaline
SMILESO=[N+]([O-])c1ccc(-c2cnc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C14H8ClN3O2/c15-11-7-9(18(19)20)5-6-10(11)14-8-16-12-3-1-2-4-13(12)17-14/h1-8H
InChIKeyHFFQSUVRFXTMPE-UHFFFAOYSA-N
XLogP3.86
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 53.86
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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Related Compounds

1,2,4-trichloro-5-(2-chloro-4-nitrophenyl)benzene
CID 134628529
2-nitrophenanthridine
CID 15065495
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
CID 44613757
[2-(4-nitrophenyl)-2-oxoethyl] 4-quinoxalin-2-ylbenzoate
CID 23764902
methyl 3-nitro-5-quinoxalin-2-ylbenzoate
CID 140893610
aniline;1,2-dichloro-4-nitrobenzene
CID 86084076
sodium 5-(2-chloro-4-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 139851838
2-chloro-7-nitro-1,5-naphthyridine
CID 163817652
2-(2,4-difluorophenyl)quinoxaline
CID 102428437
2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
CID 168929606
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenyl)quinoxaline?
The IUPAC name of 2-(2-chloro-4-nitrophenyl)quinoxaline (CID 134092942) is 2-(2-chloro-4-nitrophenyl)quinoxaline.
What is the SMILES notation for 2-(2-chloro-4-nitrophenyl)quinoxaline?
The canonical SMILES for 2-(2-chloro-4-nitrophenyl)quinoxaline is O=[N+]([O-])c1ccc(-c2cnc3ccccc3n2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-nitrophenyl)quinoxaline?
The InChIKey is HFFQSUVRFXTMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O2/c15-11-7-9(18(19)20)5-6-10(11)14-8-16-12-3-1-2-4-13(12)17-14/h1-8H.
What are the key properties of 2-(2-chloro-4-nitrophenyl)quinoxaline?
2-(2-chloro-4-nitrophenyl)quinoxaline has a molecular weight of 285.69 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenyl)quinoxaline is sourced from PubChem (CID 134092942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).