2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline

C11H8F3N3O4 — CID 54565916

IUPAC2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline
SMILESCOc1nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2nc1OC
InChIInChI=1S/C11H8F3N3O4/c1-20-9-10(21-2)16-7-6(15-9)4-3-5(11(12,13)14)8(7)17(18)19/h3-4H,1-2H3
InChIKeyZTUOIESLBCEAMX-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.57
Rot. Bonds3

About 2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline

2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline (PubChem CID 54565916) has the molecular formula C11H8F3N3O4 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline
PubChem CID54565916
Molecular FormulaC11H8F3N3O4
Molecular Weight303.20 g/mol
Exact Mass303.05
IUPAC Name2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline
SMILESCOc1nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2nc1OC
InChIInChI=1S/C11H8F3N3O4/c1-20-9-10(21-2)16-7-6(15-9)4-3-5(11(12,13)14)8(7)17(18)19/h3-4H,1-2H3
InChIKeyZTUOIESLBCEAMX-UHFFFAOYSA-N
XLogP2.57
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

CID 5353536
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CID 4464152
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CID 25163032
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CID 17878049
CID 17878049
CID 18629200
CID 18629200
CID 22097023
CID 22097023
CID 22097044
CID 22097044
CID 23298052
CID 23298052
CID 67131134
CID 67131134
CID 123256320
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CID 174405763
CID 174405763

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline?
The IUPAC name of 2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline (CID 54565916) is 2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline is COc1nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2nc1OC.
What is the InChIKey of 2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline?
The InChIKey is ZTUOIESLBCEAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O4/c1-20-9-10(21-2)16-7-6(15-9)4-3-5(11(12,13)14)8(7)17(18)19/h3-4H,1-2H3.
What are the key properties of 2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline?
2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline has a molecular weight of 303.20 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-nitro-6-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 54565916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).