1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole

C11H10FN3O3 — CID 67335069

IUPAC1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole
SMILESCOc1cc([N+](=O)[O-])cc(F)c1-n1cnc(C)c1
InChIInChI=1S/C11H10FN3O3/c1-7-5-14(6-13-7)11-9(12)3-8(15(16)17)4-10(11)18-2/h3-6H,1-2H3
InChIKeyKPYQZCWQRUORAC-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole

1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole (PubChem CID 67335069) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole
PubChem CID67335069
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole
SMILESCOc1cc([N+](=O)[O-])cc(F)c1-n1cnc(C)c1
InChIInChI=1S/C11H10FN3O3/c1-7-5-14(6-13-7)11-9(12)3-8(15(16)17)4-10(11)18-2/h3-6H,1-2H3
InChIKeyKPYQZCWQRUORAC-UHFFFAOYSA-N
XLogP2.24
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.24
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 1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole?
The IUPAC name of 1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole (CID 67335069) is 1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole.
What is the SMILES notation for 1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole?
The canonical SMILES for 1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole is COc1cc([N+](=O)[O-])cc(F)c1-n1cnc(C)c1.
What is the InChIKey of 1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole?
The InChIKey is KPYQZCWQRUORAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-7-5-14(6-13-7)11-9(12)3-8(15(16)17)4-10(11)18-2/h3-6H,1-2H3.
What are the key properties of 1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole?
1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole has a molecular weight of 251.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxy-4-nitrophenyl)-4-methylimidazole is sourced from PubChem (CID 67335069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).