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

C12H9INO2Y- — CID 158566039

IUPAC2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCn1c(-c2ccc(O)cc2)[c-]cc(I)c1=O.[Y]
InChIInChI=1S/C12H9INO2.Y/c1-14-11(7-6-10(13)12(14)16)8-2-4-9(15)5-3-8;/h2-6,15H,1H3;/q-1;
InChIKeyVTYSMGIZSJASKM-UHFFFAOYSA-N
MW415.02 g/mol
LogP2.16
Rot. Bonds1

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

2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 158566039) has the molecular formula C12H9INO2Y- and a molecular weight of 415.02 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID158566039
Molecular FormulaC12H9INO2Y-
Molecular Weight415.02 g/mol
Exact Mass414.87
IUPAC Name2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
SMILESCn1c(-c2ccc(O)cc2)[c-]cc(I)c1=O.[Y]
InChIInChI=1S/C12H9INO2.Y/c1-14-11(7-6-10(13)12(14)16)8-2-4-9(15)5-3-8;/h2-6,15H,1H3;/q-1;
InChIKeyVTYSMGIZSJASKM-UHFFFAOYSA-N
XLogP2.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.02
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium (CID 158566039) is 2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium is Cn1c(-c2ccc(O)cc2)[c-]cc(I)c1=O.[Y].
What is the InChIKey of 2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is VTYSMGIZSJASKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9INO2.Y/c1-14-11(7-6-10(13)12(14)16)8-2-4-9(15)5-3-8;/h2-6,15H,1H3;/q-1;.
What are the key properties of 2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium?
2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 415.02 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 158566039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).