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

C8H3BrClN3O4 — CID 10403751

IUPAC6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Br)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H3BrClN3O4/c9-4-2(10)1-3-5(6(4)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)
InChIKeyYXHJWJGERWHHRF-UHFFFAOYSA-N
MW320.49 g/mol
LogP1.54
Rot. Bonds1

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

6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10403751) has the molecular formula C8H3BrClN3O4 and a molecular weight of 320.49 g/mol. Its IUPAC name is 6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10403751
Molecular FormulaC8H3BrClN3O4
Molecular Weight320.49 g/mol
Exact Mass318.90
IUPAC Name6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Br)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H3BrClN3O4/c9-4-2(10)1-3-5(6(4)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)
InChIKeyYXHJWJGERWHHRF-UHFFFAOYSA-N
XLogP1.54
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 51.54
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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Related Compounds

Acea-1031
CID 9799201
6-Chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4264803
7-Chloro-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 9992729
6-Bromo-7-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10380287
7-Bromo-6-fluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10380288
7-Bromo-6-chloro-5-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 10471268
7-Chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 12747055
6-Bromo-7-chloro-1,4-dihydroquinoxaline-2,3-dione
CID 10612467
6-Bromo-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10731901
N-(4-bromo-5-chloro-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 87293431
N-(4-bromo-5-chloro-2-nitrophenyl)acetamide
CID 13055388
6-Bromo-7-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 14391500

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 10403751) is 6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(Cl)c(Br)c([N+](=O)[O-])c2[nH]c1=O.
What is the InChIKey of 6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is YXHJWJGERWHHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClN3O4/c9-4-2(10)1-3-5(6(4)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15).
What are the key properties of 6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 320.49 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10403751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).