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

C7H3F5N2O3 — CID 133102926

IUPAC3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H3F5N2O3/c8-5(9)3-4(14(16)17)2(7(10,11)12)1-13-6(3)15/h1,5H,(H,13,15)
InChIKeyCSBGUUURTGIOSC-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.24
Rot. Bonds2

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

3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 133102926) has the molecular formula C7H3F5N2O3 and a molecular weight of 258.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID133102926
Molecular FormulaC7H3F5N2O3
Molecular Weight258.10 g/mol
Exact Mass258.01
IUPAC Name3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H3F5N2O3/c8-5(9)3-4(14(16)17)2(7(10,11)12)1-13-6(3)15/h1,5H,(H,13,15)
InChIKeyCSBGUUURTGIOSC-UHFFFAOYSA-N
XLogP2.24
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.24
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

5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133103318
3-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 130085417
5-amino-4-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 130104623
3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085385
4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one
CID 118823181
2-chloro-3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)pyridine
CID 119004595
2-nitro-5-(trifluoromethyl)-1H-pyridin-4-one
CID 130766616
2-chloro-4-(difluoromethyl)-3-nitro-5-(trifluoromethyl)pyridine
CID 119009197
4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one
CID 118812631
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568
2-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 130085038
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde
CID 130084427

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one (CID 133102926) is 3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)c([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is CSBGUUURTGIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5N2O3/c8-5(9)3-4(14(16)17)2(7(10,11)12)1-13-6(3)15/h1,5H,(H,13,15).
What are the key properties of 3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one?
3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 258.10 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 133102926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).