1-(3-fluorophenyl)-2-methyl-4-nitroimidazole

C10H8FN3O2 — CID 24756750

IUPAC1-(3-fluorophenyl)-2-methyl-4-nitroimidazole
SMILESCc1nc([N+](=O)[O-])cn1-c1cccc(F)c1
InChIInChI=1S/C10H8FN3O2/c1-7-12-10(14(15)16)6-13(7)9-4-2-3-8(11)5-9/h2-6H,1H3
InChIKeyNADRIOBKQPVJHW-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.23
Rot. Bonds2

About 1-(3-fluorophenyl)-2-methyl-4-nitroimidazole

1-(3-fluorophenyl)-2-methyl-4-nitroimidazole (PubChem CID 24756750) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methyl-4-nitroimidazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methyl-4-nitroimidazole
PubChem CID24756750
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name1-(3-fluorophenyl)-2-methyl-4-nitroimidazole
SMILESCc1nc([N+](=O)[O-])cn1-c1cccc(F)c1
InChIInChI=1S/C10H8FN3O2/c1-7-12-10(14(15)16)6-13(7)9-4-2-3-8(11)5-9/h2-6H,1H3
InChIKeyNADRIOBKQPVJHW-UHFFFAOYSA-N
XLogP2.23
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methyl-4-nitroimidazole?
The IUPAC name of 1-(3-fluorophenyl)-2-methyl-4-nitroimidazole (CID 24756750) is 1-(3-fluorophenyl)-2-methyl-4-nitroimidazole.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methyl-4-nitroimidazole?
The canonical SMILES for 1-(3-fluorophenyl)-2-methyl-4-nitroimidazole is Cc1nc([N+](=O)[O-])cn1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methyl-4-nitroimidazole?
The InChIKey is NADRIOBKQPVJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c1-7-12-10(14(15)16)6-13(7)9-4-2-3-8(11)5-9/h2-6H,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-methyl-4-nitroimidazole?
1-(3-fluorophenyl)-2-methyl-4-nitroimidazole has a molecular weight of 221.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methyl-4-nitroimidazole is sourced from PubChem (CID 24756750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).