9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine

C10H6FN3O3 — CID 71052610

IUPAC9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESO=[N+]([O-])c1cc(F)c2c(c1)OCc1nccn1-2
InChIInChI=1S/C10H6FN3O3/c11-7-3-6(14(15)16)4-8-10(7)13-2-1-12-9(13)5-17-8/h1-4H,5H2
InChIKeyNBGXFAGVJHBSDN-UHFFFAOYSA-N
MW235.17 g/mol
LogP1.81
Rot. Bonds1

About 9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine

9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine (PubChem CID 71052610) has the molecular formula C10H6FN3O3 and a molecular weight of 235.17 g/mol. Its IUPAC name is 9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine
PubChem CID71052610
Molecular FormulaC10H6FN3O3
Molecular Weight235.17 g/mol
Exact Mass235.04
IUPAC Name9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESO=[N+]([O-])c1cc(F)c2c(c1)OCc1nccn1-2
InChIInChI=1S/C10H6FN3O3/c11-7-3-6(14(15)16)4-8-10(7)13-2-1-12-9(13)5-17-8/h1-4H,5H2
InChIKeyNBGXFAGVJHBSDN-UHFFFAOYSA-N
XLogP1.81
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine?
The IUPAC name of 9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine (CID 71052610) is 9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine is O=[N+]([O-])c1cc(F)c2c(c1)OCc1nccn1-2.
What is the InChIKey of 9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine?
The InChIKey is NBGXFAGVJHBSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3/c11-7-3-6(14(15)16)4-8-10(7)13-2-1-12-9(13)5-17-8/h1-4H,5H2.
What are the key properties of 9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine?
9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine has a molecular weight of 235.17 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-7-nitro-4H-imidazo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 71052610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).