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

C8H3BrFN3O4 — CID 10380288

IUPAC7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Br)c(F)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H3BrFN3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)
InChIKeySOAPWDMVSAHZSN-UHFFFAOYSA-N
MW304.03 g/mol
LogP1.03
Rot. Bonds1

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

7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10380288) has the molecular formula C8H3BrFN3O4 and a molecular weight of 304.03 g/mol. Its IUPAC name is 7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10380288
Molecular FormulaC8H3BrFN3O4
Molecular Weight304.03 g/mol
Exact Mass302.93
IUPAC Name7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Br)c(F)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H3BrFN3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)
InChIKeySOAPWDMVSAHZSN-UHFFFAOYSA-N
XLogP1.03
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.03
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 10380288) is 7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(Br)c(F)c([N+](=O)[O-])c2[nH]c1=O.
What is the InChIKey of 7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is SOAPWDMVSAHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFN3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15).
What are the key properties of 7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 304.03 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10380288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).