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

C5H3FN2O3 — CID 130769358

IUPAC3-fluoro-2-nitro-1H-pyridin-4-one
SMILESO=c1cc[nH]c([N+](=O)[O-])c1F
InChIInChI=1S/C5H3FN2O3/c6-4-3(9)1-2-7-5(4)8(10)11/h1-2H,(H,7,9)
InChIKeyFPCYEMFCJYODSR-UHFFFAOYSA-N
MW158.09 g/mol
LogP0.42
Rot. Bonds1

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

3-fluoro-2-nitro-1H-pyridin-4-one (PubChem CID 130769358) has the molecular formula C5H3FN2O3 and a molecular weight of 158.09 g/mol. Its IUPAC name is 3-fluoro-2-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-2-nitro-1H-pyridin-4-one
PubChem CID130769358
Molecular FormulaC5H3FN2O3
Molecular Weight158.09 g/mol
Exact Mass158.01
IUPAC Name3-fluoro-2-nitro-1H-pyridin-4-one
SMILESO=c1cc[nH]c([N+](=O)[O-])c1F
InChIInChI=1S/C5H3FN2O3/c6-4-3(9)1-2-7-5(4)8(10)11/h1-2H,(H,7,9)
InChIKeyFPCYEMFCJYODSR-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

2-Nitro-4-pyridinol
CID 2762849
2-Fluoro-3-nitropyridin-4-ol
CID 130969051
2-nitro-5-(trifluoromethyl)-1H-pyridin-4-one
CID 130766616
2-nitro-3-(trifluoromethyl)-1H-pyridin-4-one
CID 130838518
Hydroxy-dinitro pyridine
CID 129676315
2-Fluoro-5-nitropyridin-4-ol
CID 92133078
3-(difluoromethyl)-2-nitro-1H-pyridin-4-one
CID 130097002
2-Fluoro-6-nitropyridin-4-OL
CID 130868479
5-Fluoro-2-nitropyridin-4-ol
CID 130981609
3-Fluoro-5-nitropyridin-4-ol
CID 131189161
2-Amino-4-hydroxy-3-nitropyridine
CID 19034904
2-Amino-4-hydroxy-5-nitropyridine
CID 19034934

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-nitro-1H-pyridin-4-one?
The IUPAC name of 3-fluoro-2-nitro-1H-pyridin-4-one (CID 130769358) is 3-fluoro-2-nitro-1H-pyridin-4-one.
What is the SMILES notation for 3-fluoro-2-nitro-1H-pyridin-4-one?
The canonical SMILES for 3-fluoro-2-nitro-1H-pyridin-4-one is O=c1cc[nH]c([N+](=O)[O-])c1F.
What is the InChIKey of 3-fluoro-2-nitro-1H-pyridin-4-one?
The InChIKey is FPCYEMFCJYODSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O3/c6-4-3(9)1-2-7-5(4)8(10)11/h1-2H,(H,7,9).
What are the key properties of 3-fluoro-2-nitro-1H-pyridin-4-one?
3-fluoro-2-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-2-nitro-1H-pyridin-4-one is sourced from PubChem (CID 130769358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).