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

C5H3FN2O3 — CID 131189161

IUPAC3-fluoro-5-nitro-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1[N+](=O)[O-]
InChIInChI=1S/C5H3FN2O3/c6-3-1-7-2-4(5(3)9)8(10)11/h1-2H,(H,7,9)
InChIKeyJAWYNXZGPQBAMR-UHFFFAOYSA-N
MW158.09 g/mol
LogP0.42
Rot. Bonds1

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

3-fluoro-5-nitro-1H-pyridin-4-one (PubChem CID 131189161) has the molecular formula C5H3FN2O3 and a molecular weight of 158.09 g/mol. Its IUPAC name is 3-fluoro-5-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-5-nitro-1H-pyridin-4-one
PubChem CID131189161
Molecular FormulaC5H3FN2O3
Molecular Weight158.09 g/mol
Exact Mass158.01
IUPAC Name3-fluoro-5-nitro-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1[N+](=O)[O-]
InChIInChI=1S/C5H3FN2O3/c6-3-1-7-2-4(5(3)9)8(10)11/h1-2H,(H,7,9)
InChIKeyJAWYNXZGPQBAMR-UHFFFAOYSA-N
XLogP0.42
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 50.42
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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Related Compounds

3-Nitro-1,4-dihydropyridin-4-one
CID 228506
3,5-Dinitro-4-hydroxypyridine
CID 603733
3-Bromo-4-hydroxy-5-nitropyridine
CID 1904593
2-Chloro-5-nitropyridin-4-ol
CID 45789641
3-Iodo-5-nitropyridin-4(1H)-one
CID 45361729
2-Fluoro-3-nitropyridin-4-ol
CID 130969051
5-Nitro-2-(trifluoromethyl)pyridin-4-ol
CID 22380194
3-nitro-2-(trifluoromethyl)-1H-pyridin-4-one
CID 130895160
Hydroxy-dinitro pyridine
CID 129676315
4-Hydroxy-2-iodo-3-nitropyridine
CID 129795082
2-Fluoro-5-nitropyridin-4-ol
CID 92133078
3-nitro-5-(trifluoromethyl)-1H-pyridin-4-one
CID 118816088

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-nitro-1H-pyridin-4-one?
The IUPAC name of 3-fluoro-5-nitro-1H-pyridin-4-one (CID 131189161) is 3-fluoro-5-nitro-1H-pyridin-4-one.
What is the SMILES notation for 3-fluoro-5-nitro-1H-pyridin-4-one?
The canonical SMILES for 3-fluoro-5-nitro-1H-pyridin-4-one is O=c1c(F)c[nH]cc1[N+](=O)[O-].
What is the InChIKey of 3-fluoro-5-nitro-1H-pyridin-4-one?
The InChIKey is JAWYNXZGPQBAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O3/c6-3-1-7-2-4(5(3)9)8(10)11/h1-2H,(H,7,9).
What are the key properties of 3-fluoro-5-nitro-1H-pyridin-4-one?
3-fluoro-5-nitro-1H-pyridin-4-one has a molecular weight of 158.09 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-nitro-1H-pyridin-4-one is sourced from PubChem (CID 131189161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).