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

C5H3FN2O3 — CID 118833070

IUPAC4-fluoro-5-nitro-1H-pyridin-2-one
SMILESO=c1cc(F)c([N+](=O)[O-])c[nH]1
InChIInChI=1S/C5H3FN2O3/c6-3-1-5(9)7-2-4(3)8(10)11/h1-2H,(H,7,9)
InChIKeyLGKVGXWQBZDXRI-UHFFFAOYSA-N
MW158.09 g/mol
LogP0.42
Rot. Bonds1

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

4-fluoro-5-nitro-1H-pyridin-2-one (PubChem CID 118833070) has the molecular formula C5H3FN2O3 and a molecular weight of 158.09 g/mol. Its IUPAC name is 4-fluoro-5-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-5-nitro-1H-pyridin-2-one
PubChem CID118833070
Molecular FormulaC5H3FN2O3
Molecular Weight158.09 g/mol
Exact Mass158.01
IUPAC Name4-fluoro-5-nitro-1H-pyridin-2-one
SMILESO=c1cc(F)c([N+](=O)[O-])c[nH]1
InChIInChI=1S/C5H3FN2O3/c6-3-1-5(9)7-2-4(3)8(10)11/h1-2H,(H,7,9)
InChIKeyLGKVGXWQBZDXRI-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

1,4-difluoro-2,5-dinitrobenzene
CID 14951568
4-methoxy-5-nitro-1H-pyridin-2-one
CID 26370134
4-nitro-5-phenyl-1H-pyridin-2-one
CID 131260711
5-nitro-2H-isoquinolin-3-one
CID 22337603
2-chloro-5-nitro-1H-pyridine-4-thione
CID 150605541
2,4-difluoro-5-nitrobenzenethiol
CID 90220196
1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
CID 142787352
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224
5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one
CID 122358515
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
1-(bromomethyl)-2-chloro-4-fluoro-5-nitrobenzene
CID 117062601
6,8-difluoro-3-nitrochromen-2-one
CID 83397303

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-nitro-1H-pyridin-2-one?
The IUPAC name of 4-fluoro-5-nitro-1H-pyridin-2-one (CID 118833070) is 4-fluoro-5-nitro-1H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-5-nitro-1H-pyridin-2-one?
The canonical SMILES for 4-fluoro-5-nitro-1H-pyridin-2-one is O=c1cc(F)c([N+](=O)[O-])c[nH]1.
What is the InChIKey of 4-fluoro-5-nitro-1H-pyridin-2-one?
The InChIKey is LGKVGXWQBZDXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O3/c6-3-1-5(9)7-2-4(3)8(10)11/h1-2H,(H,7,9).
What are the key properties of 4-fluoro-5-nitro-1H-pyridin-2-one?
4-fluoro-5-nitro-1H-pyridin-2-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 4-fluoro-5-nitro-1H-pyridin-2-one is sourced from PubChem (CID 118833070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).