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

C8H3Cl2N3O4 — CID 5486198

IUPAC6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H3Cl2N3O4/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)
InChIKeyCHFSOFHQIZKQCR-UHFFFAOYSA-N
MW276.04 g/mol
LogP1.43
Rot. Bonds1

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

6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 5486198) has the molecular formula C8H3Cl2N3O4 and a molecular weight of 276.04 g/mol. Its IUPAC name is 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID5486198
Molecular FormulaC8H3Cl2N3O4
Molecular Weight276.04 g/mol
Exact Mass274.95
IUPAC Name6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H3Cl2N3O4/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)
InChIKeyCHFSOFHQIZKQCR-UHFFFAOYSA-N
XLogP1.43
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 51.43
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

2,3-Dihydroxy-6,7-dichloroquinoxaline
CID 1845
5,6,7-Trichloro-1,4-dihydro-quinoxaline-2,3-dione
CID 10849325
4',5'-Dichloro-2'-nitroacetanilide
CID 226498
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
7-Bromo-6-chloro-5-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 10471268
5,6-Dinitro-7-chloro-1,4-dihydro-2,3-quinoxalinedione
CID 10493484
6-Chloro-7-nitro-quinoxaline-2,3-diol
CID 10610150
N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide
CID 10755760
5-Amino-6,7-dichloro-1,4-dihydro-2,3-quinoxalinedione
CID 10800420
7-Chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 12747055
5,6,7-Trichloro-8-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10566958

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 5486198) is 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(Cl)c(Cl)c([N+](=O)[O-])c2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is CHFSOFHQIZKQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2N3O4/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 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 276.04 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 5486198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).