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

C5H3FN2O3 — CID 130969051

IUPAC2-fluoro-3-nitro-1H-pyridin-4-one
SMILESO=c1cc[nH]c(F)c1[N+](=O)[O-]
InChIInChI=1S/C5H3FN2O3/c6-5-4(8(10)11)3(9)1-2-7-5/h1-2H,(H,7,9)
InChIKeyTVRORRSHHNGEFP-UHFFFAOYSA-N
MW158.09 g/mol
LogP0.42
Rot. Bonds1

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

2-fluoro-3-nitro-1H-pyridin-4-one (PubChem CID 130969051) has the molecular formula C5H3FN2O3 and a molecular weight of 158.09 g/mol. Its IUPAC name is 2-fluoro-3-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-fluoro-3-nitro-1H-pyridin-4-one
PubChem CID130969051
Molecular FormulaC5H3FN2O3
Molecular Weight158.09 g/mol
Exact Mass158.01
IUPAC Name2-fluoro-3-nitro-1H-pyridin-4-one
SMILESO=c1cc[nH]c(F)c1[N+](=O)[O-]
InChIInChI=1S/C5H3FN2O3/c6-5-4(8(10)11)3(9)1-2-7-5/h1-2H,(H,7,9)
InChIKeyTVRORRSHHNGEFP-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-fluoro-3-nitro-1H-pyridin-4-one?
The IUPAC name of 2-fluoro-3-nitro-1H-pyridin-4-one (CID 130969051) is 2-fluoro-3-nitro-1H-pyridin-4-one.
What is the SMILES notation for 2-fluoro-3-nitro-1H-pyridin-4-one?
The canonical SMILES for 2-fluoro-3-nitro-1H-pyridin-4-one is O=c1cc[nH]c(F)c1[N+](=O)[O-].
What is the InChIKey of 2-fluoro-3-nitro-1H-pyridin-4-one?
The InChIKey is TVRORRSHHNGEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O3/c6-5-4(8(10)11)3(9)1-2-7-5/h1-2H,(H,7,9).
What are the key properties of 2-fluoro-3-nitro-1H-pyridin-4-one?
2-fluoro-3-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 2-fluoro-3-nitro-1H-pyridin-4-one is sourced from PubChem (CID 130969051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).