5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium

C9H7N2OY- — CID 59654135

IUPAC5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium
SMILESCC(=O)c1cnc(C#N)[c-]c1C.[Y]
InChIInChI=1S/C9H7N2O.Y/c1-6-3-8(4-10)11-5-9(6)7(2)12;/h5H,1-2H3;/q-1;
InChIKeyGQJOUBWIPSHYRB-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.26
Rot. Bonds1

About 5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium

5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium (PubChem CID 59654135) has the molecular formula C9H7N2OY- and a molecular weight of 248.07 g/mol. Its IUPAC name is 5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium.

Molecular Properties

Compound Name5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium
PubChem CID59654135
Molecular FormulaC9H7N2OY-
Molecular Weight248.07 g/mol
Exact Mass247.96
IUPAC Name5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium
SMILESCC(=O)c1cnc(C#N)[c-]c1C.[Y]
InChIInChI=1S/C9H7N2O.Y/c1-6-3-8(4-10)11-5-9(6)7(2)12;/h5H,1-2H3;/q-1;
InChIKeyGQJOUBWIPSHYRB-UHFFFAOYSA-N
XLogP1.26
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
CID 59654139
1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium
CID 59654142
1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
CID 59654157

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium?
The IUPAC name of 5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium (CID 59654135) is 5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium.
What is the SMILES notation for 5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium?
The canonical SMILES for 5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium is CC(=O)c1cnc(C#N)[c-]c1C.[Y].
What is the InChIKey of 5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium?
The InChIKey is GQJOUBWIPSHYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2O.Y/c1-6-3-8(4-10)11-5-9(6)7(2)12;/h5H,1-2H3;/q-1;.
What are the key properties of 5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium?
5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium has a molecular weight of 248.07 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium is sourced from PubChem (CID 59654135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).