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

C13H9F4INOY- — CID 153451765

IUPAC1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESO=C1C(I)C[C-]=C(c2c(F)cccc2F)N1CC(F)F.[Y]
InChIInChI=1S/C13H9F4INO.Y/c14-7-2-1-3-8(15)12(7)10-5-4-9(18)13(20)19(10)6-11(16)17;/h1-3,9,11H,4,6H2;/q-1;
InChIKeyRENMKCILORUUOJ-UHFFFAOYSA-N
MW487.02 g/mol
LogP3.41
Rot. Bonds3

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

1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153451765) has the molecular formula C13H9F4INOY- and a molecular weight of 487.02 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153451765
Molecular FormulaC13H9F4INOY-
Molecular Weight487.02 g/mol
Exact Mass486.87
IUPAC Name1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESO=C1C(I)C[C-]=C(c2c(F)cccc2F)N1CC(F)F.[Y]
InChIInChI=1S/C13H9F4INO.Y/c14-7-2-1-3-8(15)12(7)10-5-4-9(18)13(20)19(10)6-11(16)17;/h1-3,9,11H,4,6H2;/q-1;
InChIKeyRENMKCILORUUOJ-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153451765) is 1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is O=C1C(I)C[C-]=C(c2c(F)cccc2F)N1CC(F)F.[Y].
What is the InChIKey of 1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is RENMKCILORUUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4INO.Y/c14-7-2-1-3-8(15)12(7)10-5-4-9(18)13(20)19(10)6-11(16)17;/h1-3,9,11H,4,6H2;/q-1;.
What are the key properties of 1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 487.02 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-(2,6-difluorophenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153451765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).