1-(3-fluoro-5-nitrophenyl)imidazole

C9H6FN3O2 — CID 80748579

IUPAC1-(3-fluoro-5-nitrophenyl)imidazole
SMILESO=[N+]([O-])c1cc(F)cc(-n2ccnc2)c1
InChIInChI=1S/C9H6FN3O2/c10-7-3-8(12-2-1-11-6-12)5-9(4-7)13(14)15/h1-6H
InChIKeyVBLKUCPPKKIFPI-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.92
Rot. Bonds2

About 1-(3-fluoro-5-nitrophenyl)imidazole

1-(3-fluoro-5-nitrophenyl)imidazole (PubChem CID 80748579) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-(3-fluoro-5-nitrophenyl)imidazole.

Molecular Properties

Compound Name1-(3-fluoro-5-nitrophenyl)imidazole
PubChem CID80748579
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name1-(3-fluoro-5-nitrophenyl)imidazole
SMILESO=[N+]([O-])c1cc(F)cc(-n2ccnc2)c1
InChIInChI=1S/C9H6FN3O2/c10-7-3-8(12-2-1-11-6-12)5-9(4-7)13(14)15/h1-6H
InChIKeyVBLKUCPPKKIFPI-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

ethyl 3-imidazol-1-yl-5-nitrobenzoate
CID 139817791
1-(4-fluoro-3-nitrophenyl)imidazole
CID 139799498
1-(3-fluoro-5-nitrophenyl)pyrrolidine
CID 22636164
3-ethyl-5-imidazol-1-yl-2-nitroaniline
CID 10466471
1-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1,2,4-triazole
CID 80749179
1-(3-fluoro-5-nitrophenyl)-5-methylpyrazol-3-amine
CID 107335746
1-(3-iodo-4-nitrophenyl)imidazole
CID 47278183
1-(2-bromo-4-nitrophenyl)imidazole
CID 1475101
1-(3-fluoro-5-nitrophenyl)-4-methylpiperidin-4-ol
CID 81115093
4-ethyl-1-(3-fluoro-5-nitrophenyl)-3,5-dimethylpyrazole
CID 80749088
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole
CID 66076916

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-nitrophenyl)imidazole?
The IUPAC name of 1-(3-fluoro-5-nitrophenyl)imidazole (CID 80748579) is 1-(3-fluoro-5-nitrophenyl)imidazole.
What is the SMILES notation for 1-(3-fluoro-5-nitrophenyl)imidazole?
The canonical SMILES for 1-(3-fluoro-5-nitrophenyl)imidazole is O=[N+]([O-])c1cc(F)cc(-n2ccnc2)c1.
What is the InChIKey of 1-(3-fluoro-5-nitrophenyl)imidazole?
The InChIKey is VBLKUCPPKKIFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c10-7-3-8(12-2-1-11-6-12)5-9(4-7)13(14)15/h1-6H.
What are the key properties of 1-(3-fluoro-5-nitrophenyl)imidazole?
1-(3-fluoro-5-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-(3-fluoro-5-nitrophenyl)imidazole is sourced from PubChem (CID 80748579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).