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

C13H10F2NO2Y- — CID 153162878

IUPAC2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
SMILESCc1c[c-]c(-c2c(F)cc(O)cc2F)n(C)c1=O.[Y]
InChIInChI=1S/C13H10F2NO2.Y/c1-7-3-4-11(16(2)13(7)18)12-9(14)5-8(17)6-10(12)15;/h3,5-6,17H,1-2H3;/q-1;
InChIKeyPDVLVABTDLBQED-UHFFFAOYSA-N
MW339.13 g/mol
LogP2.14
Rot. Bonds1

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

2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 153162878) has the molecular formula C13H10F2NO2Y- and a molecular weight of 339.13 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID153162878
Molecular FormulaC13H10F2NO2Y-
Molecular Weight339.13 g/mol
Exact Mass338.97
IUPAC Name2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
SMILESCc1c[c-]c(-c2c(F)cc(O)cc2F)n(C)c1=O.[Y]
InChIInChI=1S/C13H10F2NO2.Y/c1-7-3-4-11(16(2)13(7)18)12-9(14)5-8(17)6-10(12)15;/h3,5-6,17H,1-2H3;/q-1;
InChIKeyPDVLVABTDLBQED-UHFFFAOYSA-N
XLogP2.14
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.13
LogP ≤ 52.14
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-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium (CID 153162878) is 2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium is Cc1c[c-]c(-c2c(F)cc(O)cc2F)n(C)c1=O.[Y].
What is the InChIKey of 2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is PDVLVABTDLBQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2NO2.Y/c1-7-3-4-11(16(2)13(7)18)12-9(14)5-8(17)6-10(12)15;/h3,5-6,17H,1-2H3;/q-1;.
What are the key properties of 2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium?
2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 339.13 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 153162878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).