1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium

C9H11N2OY- — CID 59654142

IUPAC1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium
SMILESCC(=O)c1cnc(CN)[c-]c1C.[Y]
InChIInChI=1S/C9H11N2O.Y/c1-6-3-8(4-10)11-5-9(6)7(2)12;/h5H,4,10H2,1-2H3;/q-1;
InChIKeyNNYUMLKEAYVCGJ-UHFFFAOYSA-N
MW252.11 g/mol
LogP0.85
Rot. Bonds2

About 1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium

1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium (PubChem CID 59654142) has the molecular formula C9H11N2OY- and a molecular weight of 252.11 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium
PubChem CID59654142
Molecular FormulaC9H11N2OY-
Molecular Weight252.11 g/mol
Exact Mass251.99
IUPAC Name1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium
SMILESCC(=O)c1cnc(CN)[c-]c1C.[Y]
InChIInChI=1S/C9H11N2O.Y/c1-6-3-8(4-10)11-5-9(6)7(2)12;/h5H,4,10H2,1-2H3;/q-1;
InChIKeyNNYUMLKEAYVCGJ-UHFFFAOYSA-N
XLogP0.85
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium
CID 59654135
1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium
CID 59654137
1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
CID 59654139
1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
CID 59654157
(Z,3Z)-3-(aminomethylidene)-6-methyliminohept-4-en-2-one
CID 143124529

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium?
The IUPAC name of 1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium (CID 59654142) is 1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium?
The canonical SMILES for 1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium is CC(=O)c1cnc(CN)[c-]c1C.[Y].
What is the InChIKey of 1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium?
The InChIKey is NNYUMLKEAYVCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2O.Y/c1-6-3-8(4-10)11-5-9(6)7(2)12;/h5H,4,10H2,1-2H3;/q-1;.
What are the key properties of 1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium?
1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium has a molecular weight of 252.11 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methyl-3H-pyridin-3-id-5-yl]ethanone;yttrium is sourced from PubChem (CID 59654142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).