5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium

C9H11BrNY- — CID 158963657

IUPAC5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
SMILESC=C1C(Br)=CC(C)=[C-]N1CC.[Y]
InChIInChI=1S/C9H11BrN.Y/c1-4-11-6-7(2)5-9(10)8(11)3;/h5H,3-4H2,1-2H3;/q-1;
InChIKeyFRYORGDCQDSZFX-UHFFFAOYSA-N
MW302.00 g/mol
LogP2.82
Rot. Bonds1

About 5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium

5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium (PubChem CID 158963657) has the molecular formula C9H11BrNY- and a molecular weight of 302.00 g/mol. Its IUPAC name is 5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
PubChem CID158963657
Molecular FormulaC9H11BrNY-
Molecular Weight302.00 g/mol
Exact Mass300.91
IUPAC Name5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
SMILESC=C1C(Br)=CC(C)=[C-]N1CC.[Y]
InChIInChI=1S/C9H11BrN.Y/c1-4-11-6-7(2)5-9(10)8(11)3;/h5H,3-4H2,1-2H3;/q-1;
InChIKeyFRYORGDCQDSZFX-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.00
LogP ≤ 52.82
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

5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine
CID 155130356
5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 161297791
3-Bromo-1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine
CID 157978921
3-Bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 161297792
N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)
CID 58625893
(2Z)-2-[(Z)-1-bromobut-2-enylidene]-3-methylidene-1-prop-2-enylpyrrole
CID 88866359
1,4,6-trimethyl-2H-pyridine
CID 123648615
4-bromo-1,5,6-trimethyl-2H-pyridine
CID 141279725
(2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine
CID 143938742
5-bromo-1,3-dimethyl-6-methylidene-2H-pyridin-2-ide;yttrium
CID 148863106
5-bromo-1-butyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
CID 149570537
5-bromo-1-(2,2-difluoroethyl)-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
CID 157978920

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium?
The IUPAC name of 5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium (CID 158963657) is 5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium is C=C1C(Br)=CC(C)=[C-]N1CC.[Y].
What is the InChIKey of 5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium?
The InChIKey is FRYORGDCQDSZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN.Y/c1-4-11-6-7(2)5-9(10)8(11)3;/h5H,3-4H2,1-2H3;/q-1;.
What are the key properties of 5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium?
5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium has a molecular weight of 302.00 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 158963657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).