2,3,6-trichloro-7-fluoro-5-nitroquinoxaline

C8HCl3FN3O2 — CID 22097048

IUPAC2,3,6-trichloro-7-fluoro-5-nitroquinoxaline
SMILESO=[N+]([O-])c1c(Cl)c(F)cc2nc(Cl)c(Cl)nc12
InChIInChI=1S/C8HCl3FN3O2/c9-4-2(12)1-3-5(6(4)15(16)17)14-8(11)7(10)13-3/h1H
InChIKeyPRYPNNYEDNRVTB-UHFFFAOYSA-N
MW296.47 g/mol
LogP3.64
Rot. Bonds1

About 2,3,6-trichloro-7-fluoro-5-nitroquinoxaline

2,3,6-trichloro-7-fluoro-5-nitroquinoxaline (PubChem CID 22097048) has the molecular formula C8HCl3FN3O2 and a molecular weight of 296.47 g/mol. Its IUPAC name is 2,3,6-trichloro-7-fluoro-5-nitroquinoxaline.

Molecular Properties

Compound Name2,3,6-trichloro-7-fluoro-5-nitroquinoxaline
PubChem CID22097048
Molecular FormulaC8HCl3FN3O2
Molecular Weight296.47 g/mol
Exact Mass294.91
IUPAC Name2,3,6-trichloro-7-fluoro-5-nitroquinoxaline
SMILESO=[N+]([O-])c1c(Cl)c(F)cc2nc(Cl)c(Cl)nc12
InChIInChI=1S/C8HCl3FN3O2/c9-4-2(12)1-3-5(6(4)15(16)17)14-8(11)7(10)13-3/h1H
InChIKeyPRYPNNYEDNRVTB-UHFFFAOYSA-N
XLogP3.64
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol
CID 174367257
2,3-dichloro-5-nitroquinoxalin-6-amine
CID 117100367
4-chloro-5-fluoro-3-nitrobenzene-1,2-diol
CID 88756964
2,3-dichloro-5,7-difluoroquinoxaline
CID 82184445
(6,7-dichloro-3-methyl-5-nitroquinoxalin-2-yl)cyanamide
CID 22973116
4-chloro-3,5-difluoro-N-methyl-2-nitroaniline
CID 122497392
6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione
CID 70063138
6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide
CID 54409697
2-chloro-1-fluoro-4-methyl-3-nitrobenzene
CID 130807356
2,4,7-trichloro-6-methoxy-3-nitroquinoline
CID 97181891
4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline
CID 103996648

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trichloro-7-fluoro-5-nitroquinoxaline?
The IUPAC name of 2,3,6-trichloro-7-fluoro-5-nitroquinoxaline (CID 22097048) is 2,3,6-trichloro-7-fluoro-5-nitroquinoxaline.
What is the SMILES notation for 2,3,6-trichloro-7-fluoro-5-nitroquinoxaline?
The canonical SMILES for 2,3,6-trichloro-7-fluoro-5-nitroquinoxaline is O=[N+]([O-])c1c(Cl)c(F)cc2nc(Cl)c(Cl)nc12.
What is the InChIKey of 2,3,6-trichloro-7-fluoro-5-nitroquinoxaline?
The InChIKey is PRYPNNYEDNRVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HCl3FN3O2/c9-4-2(12)1-3-5(6(4)15(16)17)14-8(11)7(10)13-3/h1H.
What are the key properties of 2,3,6-trichloro-7-fluoro-5-nitroquinoxaline?
2,3,6-trichloro-7-fluoro-5-nitroquinoxaline has a molecular weight of 296.47 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichloro-7-fluoro-5-nitroquinoxaline is sourced from PubChem (CID 22097048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).