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

C13H10Br2NOY- — CID 159944033

IUPAC2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
SMILESCc1c[c-]c(-c2ccc(Br)cc2Br)n(C)c1=O.[Y]
InChIInChI=1S/C13H10Br2NO.Y/c1-8-3-6-12(16(2)13(8)17)10-5-4-9(14)7-11(10)15;/h3-5,7H,1-2H3;/q-1;
InChIKeyIUZWSIBIABUMLV-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.68
Rot. Bonds1

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

2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 159944033) has the molecular formula C13H10Br2NOY- and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID159944033
Molecular FormulaC13H10Br2NOY-
Molecular Weight444.94 g/mol
Exact Mass442.82
IUPAC Name2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
SMILESCc1c[c-]c(-c2ccc(Br)cc2Br)n(C)c1=O.[Y]
InChIInChI=1S/C13H10Br2NO.Y/c1-8-3-6-12(16(2)13(8)17)10-5-4-9(14)7-11(10)15;/h3-5,7H,1-2H3;/q-1;
InChIKeyIUZWSIBIABUMLV-UHFFFAOYSA-N
XLogP3.68
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-methylphenyl)-5-chloro-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 159051688
5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160848103
2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 157202717
2-(2-bromo-4-but-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 159513357
2-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-(2,2-difluoroethyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160800626
1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium
CID 159764361
2-(2,4-dichlorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160520589
2-(4-chloro-2-fluorophenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160603933
5-bromo-1-ethyl-2-(4-hydroxy-2-methylphenyl)-3H-pyridin-3-id-6-one;yttrium
CID 157387497
2-[4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)-3-methylphenoxy]acetonitrile;yttrium
CID 159088322
5-(2,4-dibromophenyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride
CID 107944180
2-(2,4-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 107939577

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium (CID 159944033) is 2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium is Cc1c[c-]c(-c2ccc(Br)cc2Br)n(C)c1=O.[Y].
What is the InChIKey of 2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is IUZWSIBIABUMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2NO.Y/c1-8-3-6-12(16(2)13(8)17)10-5-4-9(14)7-11(10)15;/h3-5,7H,1-2H3;/q-1;.
What are the key properties of 2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium?
2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 444.94 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 159944033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).