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

C15H15F2INO2Y- — CID 153451054

IUPAC6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCOc1cc(F)c(C2=[C-]CC(I)C(=O)N2CC)c(F)c1.[Y]
InChIInChI=1S/C15H15F2INO2.Y/c1-3-19-13(6-5-12(18)15(19)20)14-10(16)7-9(21-4-2)8-11(14)17;/h7-8,12H,3-5H2,1-2H3;/q-1;
InChIKeyRGKGCUVPWWKRJA-UHFFFAOYSA-N
MW495.10 g/mol
LogP3.56
Rot. Bonds4

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

6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153451054) has the molecular formula C15H15F2INO2Y- and a molecular weight of 495.10 g/mol. Its IUPAC name is 6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153451054
Molecular FormulaC15H15F2INO2Y-
Molecular Weight495.10 g/mol
Exact Mass494.92
IUPAC Name6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCOc1cc(F)c(C2=[C-]CC(I)C(=O)N2CC)c(F)c1.[Y]
InChIInChI=1S/C15H15F2INO2.Y/c1-3-19-13(6-5-12(18)15(19)20)14-10(16)7-9(21-4-2)8-11(14)17;/h7-8,12H,3-5H2,1-2H3;/q-1;
InChIKeyRGKGCUVPWWKRJA-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.10
LogP ≤ 53.56
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153451054) is 6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is CCOc1cc(F)c(C2=[C-]CC(I)C(=O)N2CC)c(F)c1.[Y].
What is the InChIKey of 6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is RGKGCUVPWWKRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2INO2.Y/c1-3-19-13(6-5-12(18)15(19)20)14-10(16)7-9(21-4-2)8-11(14)17;/h7-8,12H,3-5H2,1-2H3;/q-1;.
What are the key properties of 6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 495.10 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153451054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).