3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium

C10H9F3NOY- — CID 162156528

IUPAC3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium
SMILESC=C1C(C=O)=CC(C)=[C-]N1CC(F)(F)F.[Y]
InChIInChI=1S/C10H9F3NO.Y/c1-7-3-9(5-15)8(2)14(4-7)6-10(11,12)13;/h3,5H,2,6H2,1H3;/q-1;
InChIKeyASUVAOHURWKAQF-UHFFFAOYSA-N
MW305.09 g/mol
LogP2.21
Rot. Bonds2

About 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium

3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium (PubChem CID 162156528) has the molecular formula C10H9F3NOY- and a molecular weight of 305.09 g/mol. Its IUPAC name is 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium.

Molecular Properties

Compound Name3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium
PubChem CID162156528
Molecular FormulaC10H9F3NOY-
Molecular Weight305.09 g/mol
Exact Mass304.97
IUPAC Name3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium
SMILESC=C1C(C=O)=CC(C)=[C-]N1CC(F)(F)F.[Y]
InChIInChI=1S/C10H9F3NO.Y/c1-7-3-9(5-15)8(2)14(4-7)6-10(11,12)13;/h3,5H,2,6H2,1H3;/q-1;
InChIKeyASUVAOHURWKAQF-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.09
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-5-carbaldehyde;yttrium?
The IUPAC name of 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium (CID 162156528) is 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium.
What is the SMILES notation for 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium?
The canonical SMILES for 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium is C=C1C(C=O)=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-5-carbaldehyde;yttrium?
The InChIKey is ASUVAOHURWKAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3NO.Y/c1-7-3-9(5-15)8(2)14(4-7)6-10(11,12)13;/h3,5H,2,6H2,1H3;/q-1;.
What are the key properties of 3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium?
3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide-5-carbaldehyde;yttrium has a molecular weight of 305.09 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 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-5-carbaldehyde;yttrium is sourced from PubChem (CID 162156528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).