3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one

C7H2F6INO2 — CID 118844262

IUPAC3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c(OC(F)(F)F)c1I
InChIInChI=1S/C7H2F6INO2/c8-6(9,10)3-1-2(16)4(14)5(15-3)17-7(11,12)13/h1H,(H,15,16)
InChIKeyRBGXSKBAZCPVGW-UHFFFAOYSA-N
MW372.99 g/mol
LogP2.90
Rot. Bonds1

About 3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one

3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118844262) has the molecular formula C7H2F6INO2 and a molecular weight of 372.99 g/mol. Its IUPAC name is 3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118844262
Molecular FormulaC7H2F6INO2
Molecular Weight372.99 g/mol
Exact Mass372.90
IUPAC Name3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c(OC(F)(F)F)c1I
InChIInChI=1S/C7H2F6INO2/c8-6(9,10)3-1-2(16)4(14)5(15-3)17-7(11,12)13/h1H,(H,15,16)
InChIKeyRBGXSKBAZCPVGW-UHFFFAOYSA-N
XLogP2.90
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.99
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134659569
3-(hydroxymethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118833449
2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134660918
2-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118849661
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130083350
3-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134666705
5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134665423
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111333
8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one
CID 114260850
2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118832470
6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid
CID 134680514

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one (CID 118844262) is 3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(C(F)(F)F)[nH]c(OC(F)(F)F)c1I.
What is the InChIKey of 3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is RBGXSKBAZCPVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F6INO2/c8-6(9,10)3-1-2(16)4(14)5(15-3)17-7(11,12)13/h1H,(H,15,16).
What are the key properties of 3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 372.99 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118844262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).