1-(3H-pyridin-3-id-6-yl)ethanone;yttrium

C7H6NOY- — CID 59774747

IUPAC1-(3H-pyridin-3-id-6-yl)ethanone;yttrium
SMILESCC(=O)c1cc[c-]cn1.[Y]
InChIInChI=1S/C7H6NO.Y/c1-6(9)7-4-2-3-5-8-7;/h2,4-5H,1H3;/q-1;
InChIKeyJKMMFEKCFUHSCI-UHFFFAOYSA-N
MW209.04 g/mol
LogP1.08
Rot. Bonds1

About 1-(3H-pyridin-3-id-6-yl)ethanone;yttrium

1-(3H-pyridin-3-id-6-yl)ethanone;yttrium (PubChem CID 59774747) has the molecular formula C7H6NOY- and a molecular weight of 209.04 g/mol. Its IUPAC name is 1-(3H-pyridin-3-id-6-yl)ethanone;yttrium.

Molecular Properties

Compound Name1-(3H-pyridin-3-id-6-yl)ethanone;yttrium
PubChem CID59774747
Molecular FormulaC7H6NOY-
Molecular Weight209.04 g/mol
Exact Mass208.95
IUPAC Name1-(3H-pyridin-3-id-6-yl)ethanone;yttrium
SMILESCC(=O)c1cc[c-]cn1.[Y]
InChIInChI=1S/C7H6NO.Y/c1-6(9)7-4-2-3-5-8-7;/h2,4-5H,1H3;/q-1;
InChIKeyJKMMFEKCFUHSCI-UHFFFAOYSA-N
XLogP1.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 51.08
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

3H-pyridin-3-ide-6-carboxylic acid;yttrium
CID 59774757
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
CID 22757609
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
zinc;1-phenylethanone;chloride
CID 159964610
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
1-phenylethanone;tungsten
CID 58914497
6-methyl-3H-pyridin-3-ide;yttrium(3+)
CID 21299392
1-(5-phenyl-2-pyridinyl)ethanone
CID 12054301
5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile
CID 86680485
1-[5-(4-nitrophenyl)-2-pyridinyl]ethanone
CID 86680623
6-acetylpyridine-3-carboxylic acid
CID 22323784

Frequently Asked Questions

What is the IUPAC name of 1-(3H-pyridin-3-id-6-yl)ethanone;yttrium?
The IUPAC name of 1-(3H-pyridin-3-id-6-yl)ethanone;yttrium (CID 59774747) is 1-(3H-pyridin-3-id-6-yl)ethanone;yttrium.
What is the SMILES notation for 1-(3H-pyridin-3-id-6-yl)ethanone;yttrium?
The canonical SMILES for 1-(3H-pyridin-3-id-6-yl)ethanone;yttrium is CC(=O)c1cc[c-]cn1.[Y].
What is the InChIKey of 1-(3H-pyridin-3-id-6-yl)ethanone;yttrium?
The InChIKey is JKMMFEKCFUHSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO.Y/c1-6(9)7-4-2-3-5-8-7;/h2,4-5H,1H3;/q-1;.
What are the key properties of 1-(3H-pyridin-3-id-6-yl)ethanone;yttrium?
1-(3H-pyridin-3-id-6-yl)ethanone;yttrium has a molecular weight of 209.04 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-pyridin-3-id-6-yl)ethanone;yttrium is sourced from PubChem (CID 59774747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).