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

C9H8BrF3NY- — CID 161297791

IUPAC5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
SMILESC=C1C(Br)=CC(C)=[C-]N1CC(F)(F)F.[Y]
InChIInChI=1S/C9H8BrF3N.Y/c1-6-3-8(10)7(2)14(4-6)5-9(11,12)13;/h3H,2,5H2,1H3;/q-1;
InChIKeySLVJJTKHYLVUTB-UHFFFAOYSA-N
MW355.97 g/mol
LogP3.36
Rot. Bonds1

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

5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium (PubChem CID 161297791) has the molecular formula C9H8BrF3NY- and a molecular weight of 355.97 g/mol. Its IUPAC name is 5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
PubChem CID161297791
Molecular FormulaC9H8BrF3NY-
Molecular Weight355.97 g/mol
Exact Mass354.89
IUPAC Name5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
SMILESC=C1C(Br)=CC(C)=[C-]N1CC(F)(F)F.[Y]
InChIInChI=1S/C9H8BrF3N.Y/c1-6-3-8(10)7(2)14(4-6)5-9(11,12)13;/h3H,2,5H2,1H3;/q-1;
InChIKeySLVJJTKHYLVUTB-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.97
LogP ≤ 53.36
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

1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
3-bromo-1-propan-2-yl-5-(trifluoromethyl)-2H-pyridine
CID 135136524
N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 142451897
1-(difluoromethyl)-4,6-dimethyl-2H-pyridine
CID 153556906
5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine
CID 155130356
1-(2,2-difluoroethyl)-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium
CID 157808206
1,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium
CID 158142944
5-fluoro-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 160062876
3,5-dimethyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 160247595
3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium
CID 160250415
1-ethyl-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium
CID 161375551
3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 161387175

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium (CID 161297791) is 5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium is C=C1C(Br)=CC(C)=[C-]N1CC(F)(F)F.[Y].
What is the InChIKey of 5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
The InChIKey is SLVJJTKHYLVUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N.Y/c1-6-3-8(10)7(2)14(4-6)5-9(11,12)13;/h3H,2,5H2,1H3;/q-1;.
What are the key properties of 5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium?
5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium has a molecular weight of 355.97 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 161297791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).