5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one

C7H4F4INO2 — CID 134665423

IUPAC5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]c(OC(F)(F)F)c(CF)cc1I
InChIInChI=1S/C7H4F4INO2/c8-2-3-1-4(12)5(14)13-6(3)15-7(9,10)11/h1H,2H2,(H,13,14)
InChIKeyJEWWCEJOFWRLRS-UHFFFAOYSA-N
MW337.01 g/mol
LogP2.35
Rot. Bonds2

About 5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one

5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 134665423) has the molecular formula C7H4F4INO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID134665423
Molecular FormulaC7H4F4INO2
Molecular Weight337.01 g/mol
Exact Mass336.92
IUPAC Name5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]c(OC(F)(F)F)c(CF)cc1I
InChIInChI=1S/C7H4F4INO2/c8-2-3-1-4(12)5(14)13-6(3)15-7(9,10)11/h1H,2H2,(H,13,14)
InChIKeyJEWWCEJOFWRLRS-UHFFFAOYSA-N
XLogP2.35
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 52.35
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

4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
CID 118811740
2-[5-(chloromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetonitrile
CID 134666130
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111919
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118806796
4-(bromomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134666701
4-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111068
3-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118844262
3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134666917
5-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134660811
5-(chloromethyl)-3-iodo-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111278
6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111993

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 134665423) is 5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]c(OC(F)(F)F)c(CF)cc1I.
What is the InChIKey of 5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is JEWWCEJOFWRLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4INO2/c8-2-3-1-4(12)5(14)13-6(3)15-7(9,10)11/h1H,2H2,(H,13,14).
What are the key properties of 5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one?
5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 337.01 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 134665423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).