6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one

C7H3F5N2O4 — CID 118837677

IUPAC6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(OC(F)(F)F)c([N+](=O)[O-])c(C(F)F)[nH]1
InChIInChI=1S/C7H3F5N2O4/c8-6(9)4-5(14(16)17)2(1-3(15)13-4)18-7(10,11)12/h1,6H,(H,13,15)
InChIKeyTZPMWYZFIHDCOY-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.12
Rot. Bonds3

About 6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one

6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118837677) has the molecular formula C7H3F5N2O4 and a molecular weight of 274.10 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118837677
Molecular FormulaC7H3F5N2O4
Molecular Weight274.10 g/mol
Exact Mass274.00
IUPAC Name6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(OC(F)(F)F)c([N+](=O)[O-])c(C(F)F)[nH]1
InChIInChI=1S/C7H3F5N2O4/c8-6(9)4-5(14(16)17)2(1-3(15)13-4)18-7(10,11)12/h1,6H,(H,13,15)
InChIKeyTZPMWYZFIHDCOY-UHFFFAOYSA-N
XLogP2.12
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134679073
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one
CID 118803464
1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene
CID 118852875
2-[3-(difluoromethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 134660016
2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbaldehyde
CID 134678369
1-chloro-5-methyl-2-nitro-3-(trifluoromethoxy)benzene
CID 134629875
6-(aminomethyl)-2-(difluoromethyl)-3-nitro-1H-pyridin-4-one
CID 130084199
4-bromo-2-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine
CID 118845681
6-nitro-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
CID 134680199
3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118833058
5-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134680411

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one (CID 118837677) is 6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one is O=c1cc(OC(F)(F)F)c([N+](=O)[O-])c(C(F)F)[nH]1.
What is the InChIKey of 6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is TZPMWYZFIHDCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5N2O4/c8-6(9)4-5(14(16)17)2(1-3(15)13-4)18-7(10,11)12/h1,6H,(H,13,15).
What are the key properties of 6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one?
6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 274.10 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118837677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).