1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium

C9H10NOY- — CID 59654139

IUPAC1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
SMILESCC(=O)c1cnc(C)[c-]c1C.[Y]
InChIInChI=1S/C9H10NO.Y/c1-6-4-7(2)10-5-9(6)8(3)11;/h5H,1-3H3;/q-1;
InChIKeyHMTCBACWIYOAKC-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.70
Rot. Bonds1

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

1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium (PubChem CID 59654139) has the molecular formula C9H10NOY- and a molecular weight of 237.09 g/mol. Its IUPAC name is 1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium.

Molecular Properties

Compound Name1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
PubChem CID59654139
Molecular FormulaC9H10NOY-
Molecular Weight237.09 g/mol
Exact Mass236.98
IUPAC Name1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium
SMILESCC(=O)c1cnc(C)[c-]c1C.[Y]
InChIInChI=1S/C9H10NO.Y/c1-6-4-7(2)10-5-9(6)8(3)11;/h5H,1-3H3;/q-1;
InChIKeyHMTCBACWIYOAKC-UHFFFAOYSA-N
XLogP1.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.70
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

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-(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
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
(3E)-4-methyl-3-[(propan-2-ylideneamino)methylidene]pent-4-en-2-one
CID 144835585

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium?
The IUPAC name of 1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium (CID 59654139) is 1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium.
What is the SMILES notation for 1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium?
The canonical SMILES for 1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium is CC(=O)c1cnc(C)[c-]c1C.[Y].
What is the InChIKey of 1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium?
The InChIKey is HMTCBACWIYOAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO.Y/c1-6-4-7(2)10-5-9(6)8(3)11;/h5H,1-3H3;/q-1;.
What are the key properties of 1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium?
1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium has a molecular weight of 237.09 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-3H-pyridin-3-id-5-yl)ethanone;yttrium is sourced from PubChem (CID 59654139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).