6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

C17H16F2NO2Y- — CID 153452001

IUPAC6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCC#CCOc1cc(F)c(C2=[C-]CCC(=O)N2CC)c(F)c1.[Y]
InChIInChI=1S/C17H16F2NO2.Y/c1-3-5-9-22-12-10-13(18)17(14(19)11-12)15-7-6-8-16(21)20(15)4-2;/h10-11H,4,6,8-9H2,1-2H3;/q-1;
InChIKeyGTAAJJQDINTRDI-UHFFFAOYSA-N
MW393.22 g/mol
LogP3.15
Rot. Bonds4

About 6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153452001) has the molecular formula C17H16F2NO2Y- and a molecular weight of 393.22 g/mol. Its IUPAC name is 6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153452001
Molecular FormulaC17H16F2NO2Y-
Molecular Weight393.22 g/mol
Exact Mass393.02
IUPAC Name6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCC#CCOc1cc(F)c(C2=[C-]CCC(=O)N2CC)c(F)c1.[Y]
InChIInChI=1S/C17H16F2NO2.Y/c1-3-5-9-22-12-10-13(18)17(14(19)11-12)15-7-6-8-16(21)20(15)4-2;/h10-11H,4,6,8-9H2,1-2H3;/q-1;
InChIKeyGTAAJJQDINTRDI-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(1-ethyl-6-oxo-4,5-dihydro-3H-pyridin-3-id-2-yl)-3,5-difluorophenoxy]acetonitrile;yttrium
CID 153451370
6-(4-but-2-ynoxy-2-methylphenyl)-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451411
2-(4-but-2-ynoxy-2,6-difluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 146788159
6-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451054
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451775
1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451669
6-(4-but-2-ynoxy-2-fluorophenyl)-1-(2,2-difluoroethyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451949
2-[4-(1-ethyl-5-iodo-6-oxo-3H-pyridin-3-id-2-yl)-3,5-difluorophenoxy]acetonitrile;yttrium
CID 159149419
6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one
CID 149123787
2-[3-bromo-4-[1-(2,2-difluoroethyl)-6-oxo-4,5-dihydro-3H-pyridin-3-id-2-yl]phenoxy]acetonitrile;yttrium
CID 153450818
6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
CID 153450943
6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one
CID 153055474

Frequently Asked Questions

What is the IUPAC name of 6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153452001) is 6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is CC#CCOc1cc(F)c(C2=[C-]CCC(=O)N2CC)c(F)c1.[Y].
What is the InChIKey of 6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is GTAAJJQDINTRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2NO2.Y/c1-3-5-9-22-12-10-13(18)17(14(19)11-12)15-7-6-8-16(21)20(15)4-2;/h10-11H,4,6,8-9H2,1-2H3;/q-1;.
What are the key properties of 6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 393.22 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153452001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).