6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione

C8H3ClFN3O6 — CID 70063138

IUPAC6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione
SMILESO=c1c(=O)n(O)c2c([N+](=O)[O-])c(Cl)c(F)cc2n1O
InChIInChI=1S/C8H3ClFN3O6/c9-4-2(10)1-3-5(6(4)13(18)19)12(17)8(15)7(14)11(3)16/h1,16-17H
InChIKeyJRLILCBLRKLGIV-UHFFFAOYSA-N
MW291.58 g/mol
LogP0.34
Rot. Bonds1

About 6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione

6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione (PubChem CID 70063138) has the molecular formula C8H3ClFN3O6 and a molecular weight of 291.58 g/mol. Its IUPAC name is 6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione
PubChem CID70063138
Molecular FormulaC8H3ClFN3O6
Molecular Weight291.58 g/mol
Exact Mass290.97
IUPAC Name6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione
SMILESO=c1c(=O)n(O)c2c([N+](=O)[O-])c(Cl)c(F)cc2n1O
InChIInChI=1S/C8H3ClFN3O6/c9-4-2(10)1-3-5(6(4)13(18)19)12(17)8(15)7(14)11(3)16/h1,16-17H
InChIKeyJRLILCBLRKLGIV-UHFFFAOYSA-N
XLogP0.34
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

2,4-dichloro-1,5-difluoro-3-nitrobenzene
CID 10911296
4-chloro-5-fluoro-3-nitrobenzene-1,2-diol
CID 88756964
2,3,6-trichloro-7-fluoro-5-nitroquinoxaline
CID 22097048
2-chloro-1-fluoro-4-methyl-3-nitrobenzene
CID 130807356
4-chloro-3,5-difluoro-N-methyl-2-nitroaniline
CID 122497392
acetyl 4-chloro-3-ethyl-5-fluoro-2-nitrobenzoate
CID 54273590
2,6-dichloro-3,5-difluoro-4-nitrophenol
CID 14405001
7-chloro-5-fluoro-1-methyl-4-nitrobenzotriazole
CID 54454224
1,4-dichloro-2,3,5-trifluoro-6-nitrobenzene
CID 118841547
1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 23234795
1-(3-chloro-5-fluoro-4-nitrophenyl)ethanone
CID 171007567
1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol
CID 174367257

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione?
The IUPAC name of 6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione (CID 70063138) is 6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione is O=c1c(=O)n(O)c2c([N+](=O)[O-])c(Cl)c(F)cc2n1O.
What is the InChIKey of 6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione?
The InChIKey is JRLILCBLRKLGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFN3O6/c9-4-2(10)1-3-5(6(4)13(18)19)12(17)8(15)7(14)11(3)16/h1,16-17H.
What are the key properties of 6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione?
6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione has a molecular weight of 291.58 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione is sourced from PubChem (CID 70063138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).