4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one

C7H7FN2O3 — CID 154282508

IUPAC4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one
SMILESCCc1c(F)c[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H7FN2O3/c1-2-4-5(8)3-9-7(11)6(4)10(12)13/h3H,2H2,1H3,(H,9,11)
InChIKeyREYDGDSWWAWBMT-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.98
Rot. Bonds2

About 4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one

4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one (PubChem CID 154282508) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one
PubChem CID154282508
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one
SMILESCCc1c(F)c[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H7FN2O3/c1-2-4-5(8)3-9-7(11)6(4)10(12)13/h3H,2H2,1H3,(H,9,11)
InChIKeyREYDGDSWWAWBMT-UHFFFAOYSA-N
XLogP0.98
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 50.98
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 4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one?
The IUPAC name of 4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one (CID 154282508) is 4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one is CCc1c(F)c[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one?
The InChIKey is REYDGDSWWAWBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c1-2-4-5(8)3-9-7(11)6(4)10(12)13/h3H,2H2,1H3,(H,9,11).
What are the key properties of 4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one?
4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one has a molecular weight of 186.14 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 154282508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).