1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium

C13H6F5INOY- — CID 159429432

IUPAC1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium
SMILESO=c1c(I)c[c-]c(-c2c(F)cc(F)cc2F)n1CC(F)F.[Y]
InChIInChI=1S/C13H6F5INO.Y/c14-6-3-7(15)12(8(16)4-6)10-2-1-9(19)13(21)20(10)5-11(17)18;/h1,3-4,11H,5H2;/q-1;
InChIKeyUZCLBPXWDGIUFC-UHFFFAOYSA-N
MW503.00 g/mol
LogP3.60
Rot. Bonds3

About 1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium

1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium (PubChem CID 159429432) has the molecular formula C13H6F5INOY- and a molecular weight of 503.00 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium
PubChem CID159429432
Molecular FormulaC13H6F5INOY-
Molecular Weight503.00 g/mol
Exact Mass502.85
IUPAC Name1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium
SMILESO=c1c(I)c[c-]c(-c2c(F)cc(F)cc2F)n1CC(F)F.[Y]
InChIInChI=1S/C13H6F5INO.Y/c14-6-3-7(15)12(8(16)4-6)10-2-1-9(19)13(21)20(10)5-11(17)18;/h1,3-4,11H,5H2;/q-1;
InChIKeyUZCLBPXWDGIUFC-UHFFFAOYSA-N
XLogP3.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.00
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium 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 1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium (CID 159429432) is 1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium is O=c1c(I)c[c-]c(-c2c(F)cc(F)cc2F)n1CC(F)F.[Y].
What is the InChIKey of 1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is UZCLBPXWDGIUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F5INO.Y/c14-6-3-7(15)12(8(16)4-6)10-2-1-9(19)13(21)20(10)5-11(17)18;/h1,3-4,11H,5H2;/q-1;.
What are the key properties of 1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium?
1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 503.00 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 159429432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).