1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium

C8H8NOY- — CID 59105231

IUPAC1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium
SMILESCC(=O)c1ncc[c-]c1C.[Y]
InChIInChI=1S/C8H8NO.Y/c1-6-4-3-5-9-8(6)7(2)10;/h3,5H,1-2H3;/q-1;
InChIKeyJJEXIWSCIMEWLM-UHFFFAOYSA-N
MW223.06 g/mol
LogP1.39
Rot. Bonds1

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

1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium (PubChem CID 59105231) has the molecular formula C8H8NOY- and a molecular weight of 223.06 g/mol. Its IUPAC name is 1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium.

Molecular Properties

Compound Name1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium
PubChem CID59105231
Molecular FormulaC8H8NOY-
Molecular Weight223.06 g/mol
Exact Mass222.97
IUPAC Name1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium
SMILESCC(=O)c1ncc[c-]c1C.[Y]
InChIInChI=1S/C8H8NO.Y/c1-6-4-3-5-9-8(6)7(2)10;/h3,5H,1-2H3;/q-1;
InChIKeyJJEXIWSCIMEWLM-UHFFFAOYSA-N
XLogP1.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5,6-dihydro-4H-cyclopenta[b]pyridin-4-id-7-one;tungsten
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1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
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1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
CID 59654157
1-(5-Methyl-2,3-dihydropyridin-6-yl)ethanone
CID 89073500
1-(5-Prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone
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3-Ethenylimino-5-methylhex-4-en-2-one
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1-(3,5,5-Trimethylazepin-2-yl)ethanone
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CID 143996204

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium?
The IUPAC name of 1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium (CID 59105231) is 1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium.
What is the SMILES notation for 1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium?
The canonical SMILES for 1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium is CC(=O)c1ncc[c-]c1C.[Y].
What is the InChIKey of 1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium?
The InChIKey is JJEXIWSCIMEWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO.Y/c1-6-4-3-5-9-8(6)7(2)10;/h3,5H,1-2H3;/q-1;.
What are the key properties of 1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium?
1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium has a molecular weight of 223.06 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium is sourced from PubChem (CID 59105231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).