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

C12H9BrNO2Y- — CID 157202717

IUPAC2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCn1c(-c2ccc(O)cc2Br)[c-]ccc1=O.[Y]
InChIInChI=1S/C12H9BrNO2.Y/c1-14-11(3-2-4-12(14)16)9-6-5-8(15)7-10(9)13;/h2,4-7,15H,1H3;/q-1;
InChIKeyDXOOGZDISQWIRI-UHFFFAOYSA-N
MW368.02 g/mol
LogP2.32
Rot. Bonds1

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

2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 157202717) has the molecular formula C12H9BrNO2Y- and a molecular weight of 368.02 g/mol. Its IUPAC name is 2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID157202717
Molecular FormulaC12H9BrNO2Y-
Molecular Weight368.02 g/mol
Exact Mass366.89
IUPAC Name2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCn1c(-c2ccc(O)cc2Br)[c-]ccc1=O.[Y]
InChIInChI=1S/C12H9BrNO2.Y/c1-14-11(3-2-4-12(14)16)9-6-5-8(15)7-10(9)13;/h2,4-7,15H,1H3;/q-1;
InChIKeyDXOOGZDISQWIRI-UHFFFAOYSA-N
XLogP2.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.02
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium (CID 157202717) is 2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium is Cn1c(-c2ccc(O)cc2Br)[c-]ccc1=O.[Y].
What is the InChIKey of 2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is DXOOGZDISQWIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrNO2.Y/c1-14-11(3-2-4-12(14)16)9-6-5-8(15)7-10(9)13;/h2,4-7,15H,1H3;/q-1;.
What are the key properties of 2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium?
2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 368.02 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-hydroxyphenyl)-1-methyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 157202717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).