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

C10H11F3NOY- — CID 157089352

IUPAC5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
SMILESC=C1C(OC)=CC(C)=[C-]N1CC(F)(F)F.[Y]
InChIInChI=1S/C10H11F3NO.Y/c1-7-4-9(15-3)8(2)14(5-7)6-10(11,12)13;/h4H,2,6H2,1,3H3;/q-1;
InChIKeyZUZVWGFQZRFUSC-UHFFFAOYSA-N
MW307.10 g/mol
LogP2.61
Rot. Bonds2

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

5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium (PubChem CID 157089352) has the molecular formula C10H11F3NOY- and a molecular weight of 307.10 g/mol. Its IUPAC name is 5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
PubChem CID157089352
Molecular FormulaC10H11F3NOY-
Molecular Weight307.10 g/mol
Exact Mass306.99
IUPAC Name5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
SMILESC=C1C(OC)=CC(C)=[C-]N1CC(F)(F)F.[Y]
InChIInChI=1S/C10H11F3NO.Y/c1-7-4-9(15-3)8(2)14(5-7)6-10(11,12)13;/h4H,2,6H2,1,3H3;/q-1;
InChIKeyZUZVWGFQZRFUSC-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 52.61
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

3-(Difluoromethoxy)-1,5-dimethyl-2-methylidenepyridine
CID 164117242
N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 173180346
3-Methoxy-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 157089353
1-(2,2-Difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine
CID 162194484
(2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine
CID 164910600
3-Methoxy-5-methyl-2-methylidene-1-prop-1-en-2-ylpyridine
CID 130255753
1-ethyl-5-methoxy-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
CID 161880564
5-methoxy-1,3-dimethyl-6-methylidene-2H-pyridin-2-ide;yttrium
CID 161943190
1-(2,2-difluoroethyl)-5-methoxy-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
CID 162194483
3-methoxy-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 144782722
3-Methoxy-1,5-dimethyl-2-methylidenepyridine
CID 145172202
1-Ethyl-3-methoxy-5-methyl-2-methylidenepyridine
CID 161880565

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium (CID 157089352) is 5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium is C=C1C(OC)=CC(C)=[C-]N1CC(F)(F)F.[Y].
What is the InChIKey of 5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
The InChIKey is ZUZVWGFQZRFUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3NO.Y/c1-7-4-9(15-3)8(2)14(5-7)6-10(11,12)13;/h4H,2,6H2,1,3H3;/q-1;.
What are the key properties of 5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium has a molecular weight of 307.10 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 157089352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).