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

C9H6FN3O4 — CID 10263627

IUPAC7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1c(F)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-]
InChIInChI=1S/C9H6FN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)
InChIKeySOCRPAQCLKSSLO-UHFFFAOYSA-N
MW239.16 g/mol
LogP0.57
Rot. Bonds1

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

7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10263627) has the molecular formula C9H6FN3O4 and a molecular weight of 239.16 g/mol. Its IUPAC name is 7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10263627
Molecular FormulaC9H6FN3O4
Molecular Weight239.16 g/mol
Exact Mass239.03
IUPAC Name7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1c(F)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-]
InChIInChI=1S/C9H6FN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)
InChIKeySOCRPAQCLKSSLO-UHFFFAOYSA-N
XLogP0.57
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 50.57
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'}

Analyze 7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione with MolForge

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Related Compounds

6-Cyano-7-nitroquinoxaline-2,3-dione
CID 3721046
Acea-1328
CID 9816093
Acea-1416
CID 9816526
9-Methyl-6-nitro-1,4,7,8,9,10-hexahydro-pyrido[3,4-f]quinoxaline-2,3-dione
CID 9903685
Nifluridide
CID 5464091
7-Bromo-6-methyl-5-nitro-1,4-dihydro-quinoxaline-2,3-dione
CID 10040420
(9S)-9-ethyl-3-hydroxy-6-nitro-7,8,9,10-tetrahydropyrido[3,4-f]quinoxalin-9-ium-2-olate
CID 10266209
5-Nitro-6,7-diethyl-1,4-dihydroquinoxaline-2,3-dione
CID 10611559
5-Nitro-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinoxaline-2,3-dione
CID 10705621
7-Chloro-6-ethyl-5-nitro-1,4-dihydro-quinoxaline-2,3-dione
CID 10707115
6,7-Difluoro-5-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 10800253
7-Methyl-8-nitro-2,3-dioxo-1,2,3,4-tetrahydro-quinoxaline-6-carbonitrile
CID 10824301

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 10263627) is 7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione is Cc1c(F)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-].
What is the InChIKey of 7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is SOCRPAQCLKSSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15).
What are the key properties of 7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 239.16 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10263627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).