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

C10H12NOY- — CID 59654157

IUPAC1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
SMILESCCc1[c-]c(C)c(C(C)=O)cn1.[Y]
InChIInChI=1S/C10H12NO.Y/c1-4-9-5-7(2)10(6-11-9)8(3)12;/h6H,4H2,1-3H3;/q-1;
InChIKeyUTXYGGCSJFUWOG-UHFFFAOYSA-N
MW251.12 g/mol
LogP1.95
Rot. Bonds2

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

1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium (PubChem CID 59654157) has the molecular formula C10H12NOY- and a molecular weight of 251.12 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
PubChem CID59654157
Molecular FormulaC10H12NOY-
Molecular Weight251.12 g/mol
Exact Mass251.00
IUPAC Name1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
SMILESCCc1[c-]c(C)c(C(C)=O)cn1.[Y]
InChIInChI=1S/C10H12NO.Y/c1-4-9-5-7(2)10(6-11-9)8(3)12;/h6H,4H2,1-3H3;/q-1;
InChIKeyUTXYGGCSJFUWOG-UHFFFAOYSA-N
XLogP1.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 51.95
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

Cyclohepta[b]pyridin-4-one
CID 91267558
1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium
CID 59105231
5-acetyl-4-methyl-3H-pyridin-3-ide-2-carbonitrile;yttrium
CID 59654135
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-[(2E,4E,6E)-9-methyl-1-benzazocin-3-yl]ethanone
CID 144936641
1-(3-methyl-2H-pyridin-2-id-5-yl)ethanone;yttrium
CID 147415702
6-Azatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaen-3-one
CID 172835606
Quinolin-4-one
CID 132576000
(E,4E)-7-ethenylimino-4-ethylidene-5,6-dimethyloct-5-en-3-one
CID 142823447

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium?
The IUPAC name of 1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium (CID 59654157) is 1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium.
What is the SMILES notation for 1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium?
The canonical SMILES for 1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium is CCc1[c-]c(C)c(C(C)=O)cn1.[Y].
What is the InChIKey of 1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium?
The InChIKey is UTXYGGCSJFUWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO.Y/c1-4-9-5-7(2)10(6-11-9)8(3)12;/h6H,4H2,1-3H3;/q-1;.
What are the key properties of 1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium?
1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium has a molecular weight of 251.12 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyl-3H-pyridin-3-id-5-yl)ethanone;yttrium is sourced from PubChem (CID 59654157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).