2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

C15H15ClNY- — CID 158335213

IUPAC2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccccc2Cl)N1CC.[Y]
InChIInChI=1S/C15H15ClN.Y/c1-4-17-12(3)11(2)9-10-15(17)13-7-5-6-8-14(13)16;/h5-9H,3-4H2,1-2H3;/q-1;
InChIKeyGEYQNEHJVHYJCT-UHFFFAOYSA-N
MW333.65 g/mol
LogP4.28
Rot. Bonds2

About 2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium

2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (PubChem CID 158335213) has the molecular formula C15H15ClNY- and a molecular weight of 333.65 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
PubChem CID158335213
Molecular FormulaC15H15ClNY-
Molecular Weight333.65 g/mol
Exact Mass333.00
IUPAC Name2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
SMILESC=C1C(C)=C[C-]=C(c2ccccc2Cl)N1CC.[Y]
InChIInChI=1S/C15H15ClN.Y/c1-4-17-12(3)11(2)9-10-15(17)13-7-5-6-8-14(13)16;/h5-9H,3-4H2,1-2H3;/q-1;
InChIKeyGEYQNEHJVHYJCT-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The IUPAC name of 2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium (CID 158335213) is 2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is C=C1C(C)=C[C-]=C(c2ccccc2Cl)N1CC.[Y].
What is the InChIKey of 2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
The InChIKey is GEYQNEHJVHYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN.Y/c1-4-17-12(3)11(2)9-10-15(17)13-7-5-6-8-14(13)16;/h5-9H,3-4H2,1-2H3;/q-1;.
What are the key properties of 2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium?
2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium has a molecular weight of 333.65 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 158335213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).