6-methoxy-5-nitroquinoxaline

C9H7N3O3 — CID 746779

IUPAC6-methoxy-5-nitroquinoxaline
SMILESCOc1ccc2nccnc2c1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O3/c1-15-7-3-2-6-8(9(7)12(13)14)11-5-4-10-6/h2-5H,1H3
InChIKeyVEFLMTOWDCPVKN-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.55
Rot. Bonds2

About 6-methoxy-5-nitroquinoxaline

6-methoxy-5-nitroquinoxaline (PubChem CID 746779) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 6-methoxy-5-nitroquinoxaline.

Molecular Properties

Compound Name6-methoxy-5-nitroquinoxaline
PubChem CID746779
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name6-methoxy-5-nitroquinoxaline
SMILESCOc1ccc2nccnc2c1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O3/c1-15-7-3-2-6-8(9(7)12(13)14)11-5-4-10-6/h2-5H,1H3
InChIKeyVEFLMTOWDCPVKN-UHFFFAOYSA-N
XLogP1.55
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-methoxy-5-nitroquinoxaline?
The IUPAC name of 6-methoxy-5-nitroquinoxaline (CID 746779) is 6-methoxy-5-nitroquinoxaline.
What is the SMILES notation for 6-methoxy-5-nitroquinoxaline?
The canonical SMILES for 6-methoxy-5-nitroquinoxaline is COc1ccc2nccnc2c1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-5-nitroquinoxaline?
The InChIKey is VEFLMTOWDCPVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-15-7-3-2-6-8(9(7)12(13)14)11-5-4-10-6/h2-5H,1H3.
What are the key properties of 6-methoxy-5-nitroquinoxaline?
6-methoxy-5-nitroquinoxaline has a molecular weight of 205.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-nitroquinoxaline is sourced from PubChem (CID 746779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).