7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione

C9H6FN3O5 — CID 10682422

IUPAC7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCOc1c(F)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-]
InChIInChI=1S/C9H6FN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)
InChIKeyRYDYATPRWQTACP-UHFFFAOYSA-N
MW255.16 g/mol
LogP0.27
Rot. Bonds2

About 7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione

7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10682422) has the molecular formula C9H6FN3O5 and a molecular weight of 255.16 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10682422
Molecular FormulaC9H6FN3O5
Molecular Weight255.16 g/mol
Exact Mass255.03
IUPAC Name7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCOc1c(F)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-]
InChIInChI=1S/C9H6FN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15)
InChIKeyRYDYATPRWQTACP-UHFFFAOYSA-N
XLogP0.27
TPSA118.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 10682422) is 7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione is COc1c(F)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-].
What is the InChIKey of 7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is RYDYATPRWQTACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O5/c1-18-7-3(10)2-4-5(6(7)13(16)17)12-9(15)8(14)11-4/h2H,1H3,(H,11,14)(H,12,15).
What are the key properties of 7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 255.16 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10682422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).