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

C13H10F3INO2Y- — CID 153451260

IUPAC1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESO=C1C(I)C[C-]=C(c2ccc(O)cc2F)N1CC(F)F.[Y]
InChIInChI=1S/C13H10F3INO2.Y/c14-9-5-7(19)1-2-8(9)11-4-3-10(17)13(20)18(11)6-12(15)16;/h1-2,5,10,12,19H,3,6H2;/q-1;
InChIKeyDRRJLJHPDYJISY-UHFFFAOYSA-N
MW485.03 g/mol
LogP2.97
Rot. Bonds3

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

1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153451260) has the molecular formula C13H10F3INO2Y- and a molecular weight of 485.03 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153451260
Molecular FormulaC13H10F3INO2Y-
Molecular Weight485.03 g/mol
Exact Mass484.88
IUPAC Name1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESO=C1C(I)C[C-]=C(c2ccc(O)cc2F)N1CC(F)F.[Y]
InChIInChI=1S/C13H10F3INO2.Y/c14-9-5-7(19)1-2-8(9)11-4-3-10(17)13(20)18(11)6-12(15)16;/h1-2,5,10,12,19H,3,6H2;/q-1;
InChIKeyDRRJLJHPDYJISY-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-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)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153451260) is 1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is O=C1C(I)C[C-]=C(c2ccc(O)cc2F)N1CC(F)F.[Y].
What is the InChIKey of 1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is DRRJLJHPDYJISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3INO2.Y/c14-9-5-7(19)1-2-8(9)11-4-3-10(17)13(20)18(11)6-12(15)16;/h1-2,5,10,12,19H,3,6H2;/q-1;.
What are the key properties of 1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 485.03 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153451260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).