5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one

C6H2F4INO2 — CID 131115667

IUPAC5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(OC(F)(F)F)c1I
InChIInChI=1S/C6H2F4INO2/c7-2-1-12-5(13)3(11)4(2)14-6(8,9)10/h1H,(H,12,13)
InChIKeyCWITUOJEUNFVPG-UHFFFAOYSA-N
MW322.98 g/mol
LogP2.02
Rot. Bonds1

About 5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one

5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 131115667) has the molecular formula C6H2F4INO2 and a molecular weight of 322.98 g/mol. Its IUPAC name is 5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID131115667
Molecular FormulaC6H2F4INO2
Molecular Weight322.98 g/mol
Exact Mass322.91
IUPAC Name5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)c(OC(F)(F)F)c1I
InChIInChI=1S/C6H2F4INO2/c7-2-1-12-5(13)3(11)4(2)14-6(8,9)10/h1H,(H,12,13)
InChIKeyCWITUOJEUNFVPG-UHFFFAOYSA-N
XLogP2.02
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.98
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one (CID 131115667) is 5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(F)c(OC(F)(F)F)c1I.
What is the InChIKey of 5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is CWITUOJEUNFVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4INO2/c7-2-1-12-5(13)3(11)4(2)14-6(8,9)10/h1H,(H,12,13).
What are the key properties of 5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one?
5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 322.98 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 131115667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).