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

C12H9Cl2INOY- — CID 153450394

IUPAC6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCN1C(=O)C(I)C[C-]=C1c1ccc(Cl)cc1Cl.[Y]
InChIInChI=1S/C12H9Cl2INO.Y/c1-16-11(5-4-10(15)12(16)17)8-3-2-7(13)6-9(8)14;/h2-3,6,10H,4H2,1H3;/q-1;
InChIKeyILGVRPXPNAXCBL-UHFFFAOYSA-N
MW469.93 g/mol
LogP3.80
Rot. Bonds1

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

6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153450394) has the molecular formula C12H9Cl2INOY- and a molecular weight of 469.93 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153450394
Molecular FormulaC12H9Cl2INOY-
Molecular Weight469.93 g/mol
Exact Mass468.82
IUPAC Name6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCN1C(=O)C(I)C[C-]=C1c1ccc(Cl)cc1Cl.[Y]
InChIInChI=1S/C12H9Cl2INO.Y/c1-16-11(5-4-10(15)12(16)17)8-3-2-7(13)6-9(8)14;/h2-3,6,10H,4H2,1H3;/q-1;
InChIKeyILGVRPXPNAXCBL-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 53.80
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 6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153450394) is 6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is CN1C(=O)C(I)C[C-]=C1c1ccc(Cl)cc1Cl.[Y].
What is the InChIKey of 6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is ILGVRPXPNAXCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2INO.Y/c1-16-11(5-4-10(15)12(16)17)8-3-2-7(13)6-9(8)14;/h2-3,6,10H,4H2,1H3;/q-1;.
What are the key properties of 6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 469.93 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-3-iodo-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153450394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).