2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium

C16H18NOY- — CID 153086018

IUPAC2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccc(OCC)cc2)N1C.[Y]
InChIInChI=1S/C16H18NO.Y/c1-5-18-15-9-7-14(8-10-15)16-11-6-12(2)13(3)17(16)4;/h6-10H,3,5H2,1-2,4H3;/q-1;
InChIKeyOXVYHCAZYFKGLM-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.63
Rot. Bonds3

About 2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium

2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 153086018) has the molecular formula C16H18NOY- and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID153086018
Molecular FormulaC16H18NOY-
Molecular Weight329.23 g/mol
Exact Mass329.05
IUPAC Name2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccc(OCC)cc2)N1C.[Y]
InChIInChI=1S/C16H18NO.Y/c1-5-18-15-9-7-14(8-10-15)16-11-6-12(2)13(3)17(16)4;/h6-10H,3,5H2,1-2,4H3;/q-1;
InChIKeyOXVYHCAZYFKGLM-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 157409502
1-ethyl-2-[4-(3-methoxypropoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160820868
5-ethynyl-2-[4-(2-methoxyethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158289970
5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
1-(2,2-difluoroethyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160689185
2-(2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 161041574
4-[1-(2,2-difluoroethyl)-5-methyl-6-methylidene-3H-pyridin-3-id-2-yl]phenol;yttrium
CID 158882257
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551
6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 153050707

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 153086018) is 2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(C)=C[C-]=C(c2ccc(OCC)cc2)N1C.[Y].
What is the InChIKey of 2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is OXVYHCAZYFKGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO.Y/c1-5-18-15-9-7-14(8-10-15)16-11-6-12(2)13(3)17(16)4;/h6-10H,3,5H2,1-2,4H3;/q-1;.
What are the key properties of 2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium?
2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 329.23 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 153086018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).