5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one

C6H3F3N2O3 — CID 130079355

IUPAC5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c([N+](=O)[O-])c1F
InChIInChI=1S/C6H3F3N2O3/c7-3-4(12)2(5(8)9)1-10-6(3)11(13)14/h1,5H,(H,10,12)
InChIKeyVNGAYTOJNRAJEJ-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.36
Rot. Bonds2

About 5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one

5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one (PubChem CID 130079355) has the molecular formula C6H3F3N2O3 and a molecular weight of 208.09 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one
PubChem CID130079355
Molecular FormulaC6H3F3N2O3
Molecular Weight208.09 g/mol
Exact Mass208.01
IUPAC Name5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c([N+](=O)[O-])c1F
InChIInChI=1S/C6H3F3N2O3/c7-3-4(12)2(5(8)9)1-10-6(3)11(13)14/h1,5H,(H,10,12)
InChIKeyVNGAYTOJNRAJEJ-UHFFFAOYSA-N
XLogP1.36
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.36
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-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079469
2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 118853919
5-(difluoromethyl)-2-(hydroxymethyl)-3-nitro-1H-pyridin-4-one
CID 130084380
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonyl chloride
CID 133103135
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568
5-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130097010
3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130103833
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde
CID 130084427
5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133103318
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130110143
2-[5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130079563
5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid
CID 130079670

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one?
The IUPAC name of 5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one (CID 130079355) is 5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one.
What is the SMILES notation for 5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one?
The canonical SMILES for 5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one is O=c1c(C(F)F)c[nH]c([N+](=O)[O-])c1F.
What is the InChIKey of 5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one?
The InChIKey is VNGAYTOJNRAJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O3/c7-3-4(12)2(5(8)9)1-10-6(3)11(13)14/h1,5H,(H,10,12).
What are the key properties of 5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one?
5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one has a molecular weight of 208.09 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one is sourced from PubChem (CID 130079355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).