5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one

C7H5F3N2O5 — CID 134665025

IUPAC5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1cc([N+](=O)[O-])c(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C7H5F3N2O5/c1-16-4-2-3(12(14)15)5(13)11-6(4)17-7(8,9)10/h2H,1H3,(H,11,13)
InChIKeyLAGNPBGKRQCWRG-UHFFFAOYSA-N
MW254.12 g/mol
LogP1.19
Rot. Bonds3

About 5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one

5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 134665025) has the molecular formula C7H5F3N2O5 and a molecular weight of 254.12 g/mol. Its IUPAC name is 5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID134665025
Molecular FormulaC7H5F3N2O5
Molecular Weight254.12 g/mol
Exact Mass254.02
IUPAC Name5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1cc([N+](=O)[O-])c(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C7H5F3N2O5/c1-16-4-2-3(12(14)15)5(13)11-6(4)17-7(8,9)10/h2H,1H3,(H,11,13)
InChIKeyLAGNPBGKRQCWRG-UHFFFAOYSA-N
XLogP1.19
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one
CID 130083169
6-nitro-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118833096
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
1-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroethanone
CID 112720386
1-bromo-2-methoxy-4-nitro-5-(trifluoromethyl)benzene
CID 171000191
2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine
CID 118827165
(S)-(4,5-dimethoxy-2-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171244129
4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 134663845
6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 134665696
1-fluoro-4-methyl-5-nitro-2-(trifluoromethoxy)benzene
CID 134628194
1-fluoro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene
CID 122235323

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 134665025) is 5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one is COc1cc([N+](=O)[O-])c(=O)[nH]c1OC(F)(F)F.
What is the InChIKey of 5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is LAGNPBGKRQCWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O5/c1-16-4-2-3(12(14)15)5(13)11-6(4)17-7(8,9)10/h2H,1H3,(H,11,13).
What are the key properties of 5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one?
5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 254.12 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 134665025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).