3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

C13H11Br3NOY- — CID 153450438

IUPAC3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCN1C(=O)C(Br)C[C-]=C1c1ccc(Br)cc1Br.[Y]
InChIInChI=1S/C13H11Br3NO.Y/c1-2-17-12(6-5-10(15)13(17)18)9-4-3-8(14)7-11(9)16;/h3-4,7,10H,2,5H2,1H3;/q-1;
InChIKeyMOORIBOVVPAVSA-UHFFFAOYSA-N
MW525.86 g/mol
LogP4.37
Rot. Bonds2

About 3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153450438) has the molecular formula C13H11Br3NOY- and a molecular weight of 525.86 g/mol. Its IUPAC name is 3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153450438
Molecular FormulaC13H11Br3NOY-
Molecular Weight525.86 g/mol
Exact Mass522.75
IUPAC Name3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCN1C(=O)C(Br)C[C-]=C1c1ccc(Br)cc1Br.[Y]
InChIInChI=1S/C13H11Br3NO.Y/c1-2-17-12(6-5-10(15)13(17)18)9-4-3-8(14)7-11(9)16;/h3-4,7,10H,2,5H2,1H3;/q-1;
InChIKeyMOORIBOVVPAVSA-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.86
LogP ≤ 54.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153450438) is 3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is CCN1C(=O)C(Br)C[C-]=C1c1ccc(Br)cc1Br.[Y].
What is the InChIKey of 3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is MOORIBOVVPAVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3NO.Y/c1-2-17-12(6-5-10(15)13(17)18)9-4-3-8(14)7-11(9)16;/h3-4,7,10H,2,5H2,1H3;/q-1;.
What are the key properties of 3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 525.86 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153450438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).