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

C8H3BrCl2N2O2 — CID 10518976

IUPAC5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(Br)c2[nH]c1=O
InChIInChI=1S/C8H3BrCl2N2O2/c9-4-5(11)2(10)1-3-6(4)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
InChIKeyTZUFMHIHPVXUGD-UHFFFAOYSA-N
MW309.93 g/mol
LogP2.29
Rot. Bonds

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

5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10518976) has the molecular formula C8H3BrCl2N2O2 and a molecular weight of 309.93 g/mol. Its IUPAC name is 5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10518976
Molecular FormulaC8H3BrCl2N2O2
Molecular Weight309.93 g/mol
Exact Mass307.88
IUPAC Name5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(Br)c2[nH]c1=O
InChIInChI=1S/C8H3BrCl2N2O2/c9-4-5(11)2(10)1-3-6(4)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
InChIKeyTZUFMHIHPVXUGD-UHFFFAOYSA-N
XLogP2.29
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.93
LogP ≤ 52.29
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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Related Compounds

2,3-Dihydroxy-6,7-dichloroquinoxaline
CID 1845
6-Bromo-7-chloro-1,4-dihydroquinoxaline-2,3-dione
CID 10612467
8-bromo-6,7-dichloro-4-hydroxy-1H-quinoxaline-2,3-dione
CID 44358587
CID 450990
CID 450990
6-bromo-7-chloro-3,4-dihydroquinoxalin-2(1H)-one
CID 10038316
5-Amino-7-bromo-6-chloro-1,4-dihydro-2,3-quinoxalinedione
CID 19958617
2-(8-bromo-6,7-dichloro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
CID 19958630
6-bromo-7-chloro-4-nitro-1H-quinoxaline-2,3-dione
CID 57170995
6-Bromo-5-chloro-1,4-dihydroquinoxaline-2,3-dione
CID 126618513
5-Bromo-7-chloro-3,4-dihydro-2(1H)-quinoxalinone
CID 134174741
6-bromo-7-chloro-4-methyl-1H-quinoxaline-2,3-dione
CID 142494287
5-Bromo-7-chloroquinoxaline-2,3(1H,4H)-dione
CID 99973168

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione (CID 10518976) is 5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(Cl)c(Cl)c(Br)c2[nH]c1=O.
What is the InChIKey of 5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is TZUFMHIHPVXUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2N2O2/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-dichloro-1,4-dihydroquinoxaline-2,3-dione?
5-bromo-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 309.93 g/mol, XLogP of 2.29, 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-dichloro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10518976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).