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

C6H3F3INO — CID 118844410

IUPAC3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(I)c[nH]cc1C(F)(F)F
InChIInChI=1S/C6H3F3INO/c7-6(8,9)3-1-11-2-4(10)5(3)12/h1-2H,(H,11,12)
InChIKeyXTVUGOZNXQUKJX-UHFFFAOYSA-N
MW288.99 g/mol
LogP2.00
Rot. Bonds

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

3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118844410) has the molecular formula C6H3F3INO and a molecular weight of 288.99 g/mol. Its IUPAC name is 3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118844410
Molecular FormulaC6H3F3INO
Molecular Weight288.99 g/mol
Exact Mass288.92
IUPAC Name3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(I)c[nH]cc1C(F)(F)F
InChIInChI=1S/C6H3F3INO/c7-6(8,9)3-1-11-2-4(10)5(3)12/h1-2H,(H,11,12)
InChIKeyXTVUGOZNXQUKJX-UHFFFAOYSA-N
XLogP2.00
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.99
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one (CID 118844410) is 3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one is O=c1c(I)c[nH]cc1C(F)(F)F.
What is the InChIKey of 3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is XTVUGOZNXQUKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INO/c7-6(8,9)3-1-11-2-4(10)5(3)12/h1-2H,(H,11,12).
What are the key properties of 3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one?
3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 288.99 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118844410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).