5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one

C7H5F3INO3 — CID 130111016

IUPAC5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]c(OC(F)(F)F)c1I
InChIInChI=1S/C7H5F3INO3/c1-14-3-2-4(13)12-6(5(3)11)15-7(8,9)10/h2H,1H3,(H,12,13)
InChIKeyFQIZWJVIVMHOBD-UHFFFAOYSA-N
MW335.02 g/mol
LogP1.89
Rot. Bonds2

About 5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one

5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130111016) has the molecular formula C7H5F3INO3 and a molecular weight of 335.02 g/mol. Its IUPAC name is 5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130111016
Molecular FormulaC7H5F3INO3
Molecular Weight335.02 g/mol
Exact Mass334.93
IUPAC Name5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]c(OC(F)(F)F)c1I
InChIInChI=1S/C7H5F3INO3/c1-14-3-2-4(13)12-6(5(3)11)15-7(8,9)10/h2H,1H3,(H,12,13)
InChIKeyFQIZWJVIVMHOBD-UHFFFAOYSA-N
XLogP1.89
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.02
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 134663845
2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131311062
6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118848207
3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118844262
5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134665025
4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111919
methyl 6-oxo-2-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134666243
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118806796
5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134658933
5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131214048
3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134658855
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 134666680

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 130111016) is 5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one is COc1cc(=O)[nH]c(OC(F)(F)F)c1I.
What is the InChIKey of 5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is FQIZWJVIVMHOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO3/c1-14-3-2-4(13)12-6(5(3)11)15-7(8,9)10/h2H,1H3,(H,12,13).
What are the key properties of 5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one?
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 335.02 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130111016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).