5-fluoro-3-nitro-3H-pyridin-2-one

C5H3FN2O3 — CID 85194942

IUPAC5-fluoro-3-nitro-3H-pyridin-2-one
SMILESO=C1N=CC(F)=CC1[N+](=O)[O-]
InChIInChI=1S/C5H3FN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2,4H
InChIKeyLLPPGXPOIDJZRH-UHFFFAOYSA-N
MW158.09 g/mol
LogP0.10
Rot. Bonds1

About 5-fluoro-3-nitro-3H-pyridin-2-one

5-fluoro-3-nitro-3H-pyridin-2-one (PubChem CID 85194942) has the molecular formula C5H3FN2O3 and a molecular weight of 158.09 g/mol. Its IUPAC name is 5-fluoro-3-nitro-3H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-nitro-3H-pyridin-2-one
PubChem CID85194942
Molecular FormulaC5H3FN2O3
Molecular Weight158.09 g/mol
Exact Mass158.01
IUPAC Name5-fluoro-3-nitro-3H-pyridin-2-one
SMILESO=C1N=CC(F)=CC1[N+](=O)[O-]
InChIInChI=1S/C5H3FN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2,4H
InChIKeyLLPPGXPOIDJZRH-UHFFFAOYSA-N
XLogP0.10
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 50.10
H-Bond Donors ≤ 50
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-fluoro-3-nitro-3H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-nitro-3H-pyridin-2-one (CID 85194942) is 5-fluoro-3-nitro-3H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-nitro-3H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-nitro-3H-pyridin-2-one is O=C1N=CC(F)=CC1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-3-nitro-3H-pyridin-2-one?
The InChIKey is LLPPGXPOIDJZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2,4H.
What are the key properties of 5-fluoro-3-nitro-3H-pyridin-2-one?
5-fluoro-3-nitro-3H-pyridin-2-one has a molecular weight of 158.09 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-nitro-3H-pyridin-2-one is sourced from PubChem (CID 85194942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).