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

C8H3BrF2N2O2 — CID 19958565

IUPAC5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(F)c(Br)c2[nH]c1=O
InChIInChI=1S/C8H3BrF2N2O2/c9-4-5(11)2(10)1-3-6(4)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
InChIKeyIUOYGLMHQOGWGI-UHFFFAOYSA-N
MW277.02 g/mol
LogP1.26
Rot. Bonds

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

5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 19958565) has the molecular formula C8H3BrF2N2O2 and a molecular weight of 277.02 g/mol. Its IUPAC name is 5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID19958565
Molecular FormulaC8H3BrF2N2O2
Molecular Weight277.02 g/mol
Exact Mass275.93
IUPAC Name5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(F)c(Br)c2[nH]c1=O
InChIInChI=1S/C8H3BrF2N2O2/c9-4-5(11)2(10)1-3-6(4)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
InChIKeyIUOYGLMHQOGWGI-UHFFFAOYSA-N
XLogP1.26
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.02
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione (CID 19958565) is 5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(F)c(F)c(Br)c2[nH]c1=O.
What is the InChIKey of 5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is IUOYGLMHQOGWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2N2O2/c9-4-5(11)2(10)1-3-6(4)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15).
What are the key properties of 5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione?
5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 277.02 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 19958565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).