1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium

C15H16NO2SY- — CID 159764361

IUPAC1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium
SMILESCSCOc1ccc(-c2[c-]cc(C)c(=O)n2C)cc1.[Y]
InChIInChI=1S/C15H16NO2S.Y/c1-11-4-9-14(16(2)15(11)17)12-5-7-13(8-6-12)18-10-19-3;/h4-8H,10H2,1-3H3;/q-1;
InChIKeyWBWCVEJTGQMQKM-UHFFFAOYSA-N
MW363.27 g/mol
LogP2.86
Rot. Bonds4

About 1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium

1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium (PubChem CID 159764361) has the molecular formula C15H16NO2SY- and a molecular weight of 363.27 g/mol. Its IUPAC name is 1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium
PubChem CID159764361
Molecular FormulaC15H16NO2SY-
Molecular Weight363.27 g/mol
Exact Mass363.00
IUPAC Name1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium
SMILESCSCOc1ccc(-c2[c-]cc(C)c(=O)n2C)cc1.[Y]
InChIInChI=1S/C15H16NO2S.Y/c1-11-4-9-14(16(2)15(11)17)12-5-7-13(8-6-12)18-10-19-3;/h4-8H,10H2,1-3H3;/q-1;
InChIKeyWBWCVEJTGQMQKM-UHFFFAOYSA-N
XLogP2.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[4-(methoxymethoxy)phenyl]-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 148790144
2-(4-but-2-ynoxyphenyl)-1-(2,2-difluoroethyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 159983160
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
2-(2,4-dibromophenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
CID 159944033
2-(4-hydroxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 158566039
1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451669
2-(2,6-difluoro-4-hydroxyphenyl)-1,5-dimethyl-3H-pyridin-3-id-6-one;yttrium
CID 153162878
2-[4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)-3-methylphenoxy]acetonitrile;yttrium
CID 159088322
1-(2,2-difluoroethyl)-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153452049
1-(2,2-difluoroethyl)-2-(4-ethoxy-2-fluorophenyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 158969829
6-[2-fluoro-6-(methylsulfanylmethoxy)phenyl]-3-iodo-1-methylpyridin-2-one
CID 149174112
2-[3-chloro-4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)phenoxy]acetonitrile;yttrium
CID 161194488

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium (CID 159764361) is 1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium is CSCOc1ccc(-c2[c-]cc(C)c(=O)n2C)cc1.[Y].
What is the InChIKey of 1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is WBWCVEJTGQMQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO2S.Y/c1-11-4-9-14(16(2)15(11)17)12-5-7-13(8-6-12)18-10-19-3;/h4-8H,10H2,1-3H3;/q-1;.
What are the key properties of 1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium?
1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 363.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 159764361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).