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

C9H11INY- — CID 147960300

IUPAC1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
SMILESC=C1C(I)=CC(C)=[C-]N1CC.[Y]
InChIInChI=1S/C9H11IN.Y/c1-4-11-6-7(2)5-9(10)8(11)3;/h5H,3-4H2,1-2H3;/q-1;
InChIKeyILWHNVMKUQGFRV-UHFFFAOYSA-N
MW349.00 g/mol
LogP2.86
Rot. Bonds1

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

1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium (PubChem CID 147960300) has the molecular formula C9H11INY- and a molecular weight of 349.00 g/mol. Its IUPAC name is 1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
PubChem CID147960300
Molecular FormulaC9H11INY-
Molecular Weight349.00 g/mol
Exact Mass348.90
IUPAC Name1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium
SMILESC=C1C(I)=CC(C)=[C-]N1CC.[Y]
InChIInChI=1S/C9H11IN.Y/c1-4-11-6-7(2)5-9(10)8(11)3;/h5H,3-4H2,1-2H3;/q-1;
InChIKeyILWHNVMKUQGFRV-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.00
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-1,4-dimethyl-6-(trifluoromethyl)-2H-pyridine
CID 140105977
5-iodo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 161722365
1-(2,2-Difluoroethyl)-3-iodo-5-methyl-2-methylidenepyridine
CID 157859536
3-Iodo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 161722366
1,2,4,6-tetramethyl-2H-pyridine
CID 423780
1,4,5,6-tetramethyl-2H-pyridine
CID 20479161
1,5-Dimethyl-6-methylidene-2,3-dihydropyridine
CID 57786338
N,N,3-trimethylbenzene-5-id-1-amine;yttrium
CID 58336188
N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)
CID 58625893
4-ethyl-1,6-dimethyl-2H-pyridine
CID 68413452
1,2,4-Trimethyl-6-methylidenepyridine
CID 86138903
1,4,6-trimethyl-2H-pyridine
CID 123648615

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium?
The IUPAC name of 1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium (CID 147960300) is 1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium is C=C1C(I)=CC(C)=[C-]N1CC.[Y].
What is the InChIKey of 1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium?
The InChIKey is ILWHNVMKUQGFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN.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 1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium?
1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium has a molecular weight of 349.00 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-iodo-3-methyl-6-methylidene-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 147960300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).