5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium

C13H10Br2NO2Y- — CID 160848103

IUPAC5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCOc1ccc(-c2[c-]cc(Br)c(=O)n2C)c(Br)c1.[Y]
InChIInChI=1S/C13H10Br2NO2.Y/c1-16-12(6-5-10(14)13(16)17)9-4-3-8(18-2)7-11(9)15;/h3-5,7H,1-2H3;/q-1;
InChIKeyVHURFDNNEFABIJ-UHFFFAOYSA-N
MW460.94 g/mol
LogP3.38
Rot. Bonds2

About 5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium

5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 160848103) has the molecular formula C13H10Br2NO2Y- and a molecular weight of 460.94 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID160848103
Molecular FormulaC13H10Br2NO2Y-
Molecular Weight460.94 g/mol
Exact Mass458.81
IUPAC Name5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCOc1ccc(-c2[c-]cc(Br)c(=O)n2C)c(Br)c1.[Y]
InChIInChI=1S/C13H10Br2NO2.Y/c1-16-12(6-5-10(14)13(16)17)9-4-3-8(18-2)7-11(9)15;/h3-5,7H,1-2H3;/q-1;
InChIKeyVHURFDNNEFABIJ-UHFFFAOYSA-N
XLogP3.38
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
CID 159944033
2-(2-bromo-4-but-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 159513357
3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
CID 158562062
2-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-(2,2-difluoroethyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160800626
5-bromo-2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 158259101
2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one
CID 11119117
2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 157202717
3,5-dibromo-6-(4-methoxyphenyl)-1-methylpyridin-2-one
CID 118610215
2-(2-bromo-4-prop-2-ynoxyphenyl)-5-chloro-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 158882413
2-[2-fluoro-4-(methoxymethoxy)phenyl]-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 158034417
2,3-dibromo-6-methoxyinden-1-one
CID 170703221
2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 158310514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium (CID 160848103) is 5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium is COc1ccc(-c2[c-]cc(Br)c(=O)n2C)c(Br)c1.[Y].
What is the InChIKey of 5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is VHURFDNNEFABIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2NO2.Y/c1-16-12(6-5-10(14)13(16)17)9-4-3-8(18-2)7-11(9)15;/h3-5,7H,1-2H3;/q-1;.
What are the key properties of 5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium?
5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 460.94 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-4-methoxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 160848103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).