2-chloro-7-fluoro-5-nitroquinoxaline

C8H3ClFN3O2 — CID 174379231

IUPAC2-chloro-7-fluoro-5-nitroquinoxaline
SMILESO=[N+]([O-])c1cc(F)cc2nc(Cl)cnc12
InChIInChI=1S/C8H3ClFN3O2/c9-7-3-11-8-5(12-7)1-4(10)2-6(8)13(14)15/h1-3H
InChIKeyMFHOMEODJJHRLP-UHFFFAOYSA-N
MW227.58 g/mol
LogP2.33
Rot. Bonds1

About 2-chloro-7-fluoro-5-nitroquinoxaline

2-chloro-7-fluoro-5-nitroquinoxaline (PubChem CID 174379231) has the molecular formula C8H3ClFN3O2 and a molecular weight of 227.58 g/mol. Its IUPAC name is 2-chloro-7-fluoro-5-nitroquinoxaline.

Molecular Properties

Compound Name2-chloro-7-fluoro-5-nitroquinoxaline
PubChem CID174379231
Molecular FormulaC8H3ClFN3O2
Molecular Weight227.58 g/mol
Exact Mass226.99
IUPAC Name2-chloro-7-fluoro-5-nitroquinoxaline
SMILESO=[N+]([O-])c1cc(F)cc2nc(Cl)cnc12
InChIInChI=1S/C8H3ClFN3O2/c9-7-3-11-8-5(12-7)1-4(10)2-6(8)13(14)15/h1-3H
InChIKeyMFHOMEODJJHRLP-UHFFFAOYSA-N
XLogP2.33
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.58
LogP ≤ 52.33
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-chloro-5-fluoro-3-nitropyridine
CID 10773626
N-(5-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107595745
N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107123861
6-fluoro-4-nitro-1H-benzimidazol-2-amine
CID 133056383
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340
N-(5-chloropyrazin-2-yl)-4-fluoro-2-nitrobenzamide
CID 107595729
N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide
CID 107595834
2-chloro-6-(1H-imidazol-2-ylsulfanyl)-7-nitroquinoxaline
CID 150227781
(2-chloro-4-fluoro-6-nitrophenyl)methanamine
CID 171016253
3-chloro-5-fluoro-2-nitropyridine
CID 130893942
2-chloro-5-iodo-4-nitropyridine
CID 131211540
6-chloro-N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 86680902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-5-nitroquinoxaline?
The IUPAC name of 2-chloro-7-fluoro-5-nitroquinoxaline (CID 174379231) is 2-chloro-7-fluoro-5-nitroquinoxaline.
What is the SMILES notation for 2-chloro-7-fluoro-5-nitroquinoxaline?
The canonical SMILES for 2-chloro-7-fluoro-5-nitroquinoxaline is O=[N+]([O-])c1cc(F)cc2nc(Cl)cnc12.
What is the InChIKey of 2-chloro-7-fluoro-5-nitroquinoxaline?
The InChIKey is MFHOMEODJJHRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFN3O2/c9-7-3-11-8-5(12-7)1-4(10)2-6(8)13(14)15/h1-3H.
What are the key properties of 2-chloro-7-fluoro-5-nitroquinoxaline?
2-chloro-7-fluoro-5-nitroquinoxaline has a molecular weight of 227.58 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-5-nitroquinoxaline is sourced from PubChem (CID 174379231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).