5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one

C11H7FN2O3 — CID 46312784

IUPAC5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H7FN2O3/c12-9-3-1-7(2-4-9)8-5-10(14(16)17)11(15)13-6-8/h1-6H,(H,13,15)
InChIKeyTXVCCCWIIXOSBC-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.09
Rot. Bonds2

About 5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one

5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one (PubChem CID 46312784) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one
PubChem CID46312784
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H7FN2O3/c12-9-3-1-7(2-4-9)8-5-10(14(16)17)11(15)13-6-8/h1-6H,(H,13,15)
InChIKeyTXVCCCWIIXOSBC-UHFFFAOYSA-N
XLogP2.09
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one (CID 46312784) is 5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one is O=c1[nH]cc(-c2ccc(F)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one?
The InChIKey is TXVCCCWIIXOSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-9-3-1-7(2-4-9)8-5-10(14(16)17)11(15)13-6-8/h1-6H,(H,13,15).
What are the key properties of 5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one?
5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one has a molecular weight of 234.19 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 46312784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).