2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

C18H20F2NO2Y- — CID 159431424

IUPAC2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2c(F)cc(OCCOC)cc2F)N1CC.[Y]
InChIInChI=1S/C18H20F2NO2.Y/c1-5-21-13(3)12(2)6-7-17(21)18-15(19)10-14(11-16(18)20)23-9-8-22-4;/h6,10-11H,3,5,8-9H2,1-2,4H3;/q-1;
InChIKeyGQRJQTOPYCLERC-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.93
Rot. Bonds6

About 2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 159431424) has the molecular formula C18H20F2NO2Y- and a molecular weight of 409.27 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID159431424
Molecular FormulaC18H20F2NO2Y-
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC Name2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2c(F)cc(OCCOC)cc2F)N1CC.[Y]
InChIInChI=1S/C18H20F2NO2.Y/c1-5-21-13(3)12(2)6-7-17(21)18-15(19)10-14(11-16(18)20)23-9-8-22-4;/h6,10-11H,3,5,8-9H2,1-2,4H3;/q-1;
InChIKeyGQRJQTOPYCLERC-UHFFFAOYSA-N
XLogP3.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160820868
1-(2,2-difluoroethyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160689185
1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160771850
5-bromo-1-ethyl-6-methylidene-2-(2,4,6-trifluorophenyl)-3H-pyridin-3-ide;yttrium
CID 160701874
5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161316716
5-bromo-1-ethyl-2-[2-fluoro-4-(methoxymethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162077228
3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
CID 159372256
6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
CID 153451159
3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one
CID 158626674
1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158178614
2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161041574
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 159431424) is 2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(C)=C[C-]=C(c2c(F)cc(OCCOC)cc2F)N1CC.[Y].
What is the InChIKey of 2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is GQRJQTOPYCLERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2NO2.Y/c1-5-21-13(3)12(2)6-7-17(21)18-15(19)10-14(11-16(18)20)23-9-8-22-4;/h6,10-11H,3,5,8-9H2,1-2,4H3;/q-1;.
What are the key properties of 2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 409.27 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 159431424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).