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

C13H9ClF2NO2Y- — CID 161120361

IUPAC5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
SMILESCCn1c(-c2c(F)cc(O)cc2F)[c-]cc(Cl)c1=O.[Y]
InChIInChI=1S/C13H9ClF2NO2.Y/c1-2-17-11(4-3-8(14)13(17)19)12-9(15)5-7(18)6-10(12)16;/h3,5-6,18H,2H2,1H3;/q-1;
InChIKeyIFVMQBQZKJSDRV-UHFFFAOYSA-N
MW373.58 g/mol
LogP2.97
Rot. Bonds2

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

5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 161120361) has the molecular formula C13H9ClF2NO2Y- and a molecular weight of 373.58 g/mol. Its IUPAC name is 5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
PubChem CID161120361
Molecular FormulaC13H9ClF2NO2Y-
Molecular Weight373.58 g/mol
Exact Mass372.94
IUPAC Name5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
SMILESCCn1c(-c2c(F)cc(O)cc2F)[c-]cc(Cl)c1=O.[Y]
InChIInChI=1S/C13H9ClF2NO2.Y/c1-2-17-11(4-3-8(14)13(17)19)12-9(15)5-7(18)6-10(12)16;/h3,5-6,18H,2H2,1H3;/q-1;
InChIKeyIFVMQBQZKJSDRV-UHFFFAOYSA-N
XLogP2.97
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 52.97
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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Related Compounds

2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
CID 153162878
1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-hydroxyphenyl)-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 153067615
2-[4-(1-ethyl-5-iodo-6-oxo-3H-pyridin-3-id-2-yl)-3,5-difluorophenoxy]acetonitrile;yttrium
CID 159149419
5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium
CID 159462140
5-bromo-1-ethyl-2-(4-hydroxy-2-methylphenyl)-3H-pyridin-3-id-6-one;yttrium
CID 157387497
2-(2-bromo-4-prop-2-ynoxyphenyl)-5-chloro-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 158882413
3-chloro-5-(4-chloropyrazol-1-yl)-6-(2,6-difluoro-4-hydroxyphenyl)-1-ethylpyridin-2-one;[4-[5-chloro-3-(4-chloropyrazol-1-yl)-1-ethyl-6-oxo-2-pyridinyl]-3,5-difluorophenyl] acetate
CID 157418801
1-(2,2-difluoroethyl)-5-iodo-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-id-6-one;yttrium
CID 159429432
4-(2,6-difluoro-4-hydroxyphenyl)-3,5-difluorophenol
CID 22708583
3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one
CID 142452813
3-chloro-5-[3-(dimethylamino)prop-2-enoyl]-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452921
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-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium (CID 161120361) is 5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium is CCn1c(-c2c(F)cc(O)cc2F)[c-]cc(Cl)c1=O.[Y].
What is the InChIKey of 5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is IFVMQBQZKJSDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2NO2.Y/c1-2-17-11(4-3-8(14)13(17)19)12-9(15)5-7(18)6-10(12)16;/h3,5-6,18H,2H2,1H3;/q-1;.
What are the key properties of 5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium?
5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 373.58 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 161120361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).