1-(4-fluoro-3-nitrophenyl)imidazole

C9H6FN3O2 — CID 139799498

IUPAC1-(4-fluoro-3-nitrophenyl)imidazole
SMILESO=[N+]([O-])c1cc(-n2ccnc2)ccc1F
InChIInChI=1S/C9H6FN3O2/c10-8-2-1-7(5-9(8)13(14)15)12-4-3-11-6-12/h1-6H
InChIKeyBZAGFYIDSXDQOA-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.92
Rot. Bonds2

About 1-(4-fluoro-3-nitrophenyl)imidazole

1-(4-fluoro-3-nitrophenyl)imidazole (PubChem CID 139799498) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)imidazole.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)imidazole
PubChem CID139799498
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name1-(4-fluoro-3-nitrophenyl)imidazole
SMILESO=[N+]([O-])c1cc(-n2ccnc2)ccc1F
InChIInChI=1S/C9H6FN3O2/c10-8-2-1-7(5-9(8)13(14)15)12-4-3-11-6-12/h1-6H
InChIKeyBZAGFYIDSXDQOA-UHFFFAOYSA-N
XLogP1.92
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.92
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

1-(3-iodo-4-nitrophenyl)imidazole
CID 47278183
5-imidazol-1-yl-2-nitrobenzamide
CID 19709767
1-(3-but-1-ynyl-4-nitrophenyl)imidazole
CID 145051066
1-(3-fluoro-5-nitrophenyl)imidazole
CID 80748579
1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole
CID 103594395
1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole
CID 66076916
N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114098
1-(3-fluoro-4-methylphenyl)imidazole
CID 18758587
1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione
CID 2783302
1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine
CID 102942610
6-imidazol-1-yl-5-nitropyridine-3-carbonitrile
CID 103473390
1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one
CID 115370462

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)imidazole?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)imidazole (CID 139799498) is 1-(4-fluoro-3-nitrophenyl)imidazole.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)imidazole?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)imidazole is O=[N+]([O-])c1cc(-n2ccnc2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)imidazole?
The InChIKey is BZAGFYIDSXDQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c10-8-2-1-7(5-9(8)13(14)15)12-4-3-11-6-12/h1-6H.
What are the key properties of 1-(4-fluoro-3-nitrophenyl)imidazole?
1-(4-fluoro-3-nitrophenyl)imidazole has a molecular weight of 207.16 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-nitrophenyl)imidazole is sourced from PubChem (CID 139799498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).