5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium

C17H16ClF3NO2Y- — CID 161316716

IUPAC5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(Cl)=C[C-]=C(c2ccc(OCCOC)cc2F)N1CC(F)F.[Y]
InChIInChI=1S/C17H16ClF3NO2.Y/c1-11-14(18)5-6-16(22(11)10-17(20)21)13-4-3-12(9-15(13)19)24-8-7-23-2;/h3-5,9,17H,1,7-8,10H2,2H3;/q-1;
InChIKeyHYIYLZLWXKKZLK-UHFFFAOYSA-N
MW447.67 g/mol
LogP4.21
Rot. Bonds7

About 5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium

5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 161316716) has the molecular formula C17H16ClF3NO2Y- and a molecular weight of 447.67 g/mol. Its IUPAC name is 5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID161316716
Molecular FormulaC17H16ClF3NO2Y-
Molecular Weight447.67 g/mol
Exact Mass446.99
IUPAC Name5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(Cl)=C[C-]=C(c2ccc(OCCOC)cc2F)N1CC(F)F.[Y]
InChIInChI=1S/C17H16ClF3NO2.Y/c1-11-14(18)5-6-16(22(11)10-17(20)21)13-4-3-12(9-15(13)19)24-8-7-23-2;/h3-5,9,17H,1,7-8,10H2,2H3;/q-1;
InChIKeyHYIYLZLWXKKZLK-UHFFFAOYSA-N
XLogP4.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.67
LogP ≤ 54.21
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

5-chloro-2-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 157452947
3-chloro-1-(2,2-difluoroethyl)-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
CID 161316717
1-(2,2-difluoroethyl)-2-(2-fluoro-4-prop-2-enoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158191537
3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
CID 159372256
1-(2,2-difluoroethyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160689185
5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159756936
5-chloro-1-(2,2-difluoroethyl)-2-(3,5-difluorophenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161494243
1-(2,2-difluoroethyl)-2-(2-fluoro-4-methoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159145703
5-bromo-1-ethyl-2-[2-fluoro-4-(methoxymethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162077228
1-(2,2-difluoroethyl)-5-iodo-2-[4-(3-methoxypropoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160772540
3-chloro-1-(2,2-difluoroethyl)-6-[2-fluoro-4-(methylsulfanylmethoxy)phenyl]-2-methylidenepyridine
CID 159934092

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium (CID 161316716) is 5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(Cl)=C[C-]=C(c2ccc(OCCOC)cc2F)N1CC(F)F.[Y].
What is the InChIKey of 5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is HYIYLZLWXKKZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3NO2.Y/c1-11-14(18)5-6-16(22(11)10-17(20)21)13-4-3-12(9-15(13)19)24-8-7-23-2;/h3-5,9,17H,1,7-8,10H2,2H3;/q-1;.
What are the key properties of 5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium?
5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 447.67 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 161316716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).