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

C13H11BrCl2NOY- — CID 153451459

IUPAC6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCN1C(=O)C(Cl)C[C-]=C1c1ccc(Cl)cc1Br.[Y]
InChIInChI=1S/C13H11BrCl2NO.Y/c1-2-17-12(6-5-11(16)13(17)18)9-4-3-8(15)7-10(9)14;/h3-4,7,11H,2,5H2,1H3;/q-1;
InChIKeyJZVGJERUXSKFEK-UHFFFAOYSA-N
MW436.95 g/mol
LogP4.10
Rot. Bonds2

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

6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153451459) has the molecular formula C13H11BrCl2NOY- and a molecular weight of 436.95 g/mol. Its IUPAC name is 6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153451459
Molecular FormulaC13H11BrCl2NOY-
Molecular Weight436.95 g/mol
Exact Mass434.85
IUPAC Name6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCN1C(=O)C(Cl)C[C-]=C1c1ccc(Cl)cc1Br.[Y]
InChIInChI=1S/C13H11BrCl2NO.Y/c1-2-17-12(6-5-11(16)13(17)18)9-4-3-8(15)7-10(9)14;/h3-4,7,11H,2,5H2,1H3;/q-1;
InChIKeyJZVGJERUXSKFEK-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 54.10
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 6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153451459) is 6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is CCN1C(=O)C(Cl)C[C-]=C1c1ccc(Cl)cc1Br.[Y].
What is the InChIKey of 6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is JZVGJERUXSKFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2NO.Y/c1-2-17-12(6-5-11(16)13(17)18)9-4-3-8(15)7-10(9)14;/h3-4,7,11H,2,5H2,1H3;/q-1;.
What are the key properties of 6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 436.95 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153451459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).