3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium

C9H9F3NY- — CID 161387175

IUPAC3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
SMILESC=C1C=CC(C)=[C-]N1CC(F)(F)F.[Y]
InChIInChI=1S/C9H9F3N.Y/c1-7-3-4-8(2)13(5-7)6-9(10,11)12;/h3-4H,2,6H2,1H3;/q-1;
InChIKeyWJCJAHPIAOJOLM-UHFFFAOYSA-N
MW277.08 g/mol
LogP2.64
Rot. Bonds1

About 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium

3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium (PubChem CID 161387175) has the molecular formula C9H9F3NY- and a molecular weight of 277.08 g/mol. Its IUPAC name is 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
PubChem CID161387175
Molecular FormulaC9H9F3NY-
Molecular Weight277.08 g/mol
Exact Mass276.98
IUPAC Name3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
SMILESC=C1C=CC(C)=[C-]N1CC(F)(F)F.[Y]
InChIInChI=1S/C9H9F3N.Y/c1-7-3-4-8(2)13(5-7)6-9(10,11)12;/h3-4H,2,6H2,1H3;/q-1;
InChIKeyWJCJAHPIAOJOLM-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 52.64
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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Related Compounds

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2-Chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium (CID 161387175) is 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium is C=C1C=CC(C)=[C-]N1CC(F)(F)F.[Y].
What is the InChIKey of 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
The InChIKey is WJCJAHPIAOJOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N.Y/c1-7-3-4-8(2)13(5-7)6-9(10,11)12;/h3-4H,2,6H2,1H3;/q-1;.
What are the key properties of 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium has a molecular weight of 277.08 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 161387175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).