1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

C18H17FNOY- — CID 160771850

IUPAC1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC#CCOc1ccc(C2=[C-]C=C(C)C(=C)N2CC)c(F)c1.[Y]
InChIInChI=1S/C18H17FNO.Y/c1-5-11-21-15-8-9-16(17(19)12-15)18-10-7-13(3)14(4)20(18)6-2;/h1,7-9,12H,4,6,11H2,2-3H3;/q-1;
InChIKeyUPLJZULDJVESQO-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.77
Rot. Bonds4

About 1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 160771850) has the molecular formula C18H17FNOY- and a molecular weight of 371.24 g/mol. Its IUPAC name is 1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID160771850
Molecular FormulaC18H17FNOY-
Molecular Weight371.24 g/mol
Exact Mass371.04
IUPAC Name1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC#CCOc1ccc(C2=[C-]C=C(C)C(=C)N2CC)c(F)c1.[Y]
InChIInChI=1S/C18H17FNO.Y/c1-5-11-21-15-8-9-16(17(19)12-15)18-10-7-13(3)14(4)20(18)6-2;/h1,7-9,12H,4,6,11H2,2-3H3;/q-1;
InChIKeyUPLJZULDJVESQO-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.77
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'}

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Related Compounds

1-(2,2-difluoroethyl)-2-(2-fluoro-4-prop-2-enoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158191537
5-bromo-1-ethyl-2-[2-fluoro-4-(methoxymethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162077228
1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158178614
2-(4-chloro-2-fluorophenyl)-1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159756936
2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159431424
1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine
CID 159262861
1-(2,2-difluoroethyl)-2-(2-fluorophenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159111274
5-chloro-1-(2,2-difluoroethyl)-2-[2-fluoro-4-(2-methoxyethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161316716
1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160820868
5-bromo-2-(2-fluoro-4-propoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159017015
1-bromo-2-fluoro-4-prop-2-ynoxybenzene
CID 65204026
5-chloro-2-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 157452947

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 160771850) is 1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is C#CCOc1ccc(C2=[C-]C=C(C)C(=C)N2CC)c(F)c1.[Y].
What is the InChIKey of 1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is UPLJZULDJVESQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FNO.Y/c1-5-11-21-15-8-9-16(17(19)12-15)18-10-7-13(3)14(4)20(18)6-2;/h1,7-9,12H,4,6,11H2,2-3H3;/q-1;.
What are the key properties of 1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 371.24 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 160771850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).