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

C6H3F3INO2 — CID 118832986

IUPAC3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1c(I)c[nH]cc1OC(F)(F)F
InChIInChI=1S/C6H3F3INO2/c7-6(8,9)13-4-2-11-1-3(10)5(4)12/h1-2H,(H,11,12)
InChIKeyPQUAGKQNAKEDAR-UHFFFAOYSA-N
MW304.99 g/mol
LogP1.88
Rot. Bonds1

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

3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118832986) has the molecular formula C6H3F3INO2 and a molecular weight of 304.99 g/mol. Its IUPAC name is 3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118832986
Molecular FormulaC6H3F3INO2
Molecular Weight304.99 g/mol
Exact Mass304.92
IUPAC Name3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1c(I)c[nH]cc1OC(F)(F)F
InChIInChI=1S/C6H3F3INO2/c7-6(8,9)13-4-2-11-1-3(10)5(4)12/h1-2H,(H,11,12)
InChIKeyPQUAGKQNAKEDAR-UHFFFAOYSA-N
XLogP1.88
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.99
LogP ≤ 51.88
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 3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one (CID 118832986) is 3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one is O=c1c(I)c[nH]cc1OC(F)(F)F.
What is the InChIKey of 3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is PQUAGKQNAKEDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INO2/c7-6(8,9)13-4-2-11-1-3(10)5(4)12/h1-2H,(H,11,12).
What are the key properties of 3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one?
3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 304.99 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118832986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).