2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium

C11H14NO3Y- — CID 59959844

IUPAC2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium
SMILESCCc1cc(C)n([CH-]C(=O)O)c(=O)c1C.[Y]
InChIInChI=1S/C11H14NO3.Y/c1-4-9-5-7(2)12(6-10(13)14)11(15)8(9)3;/h5-6H,4H2,1-3H3,(H,13,14);/q-1;
InChIKeyFAUAWGMDJJKXMV-UHFFFAOYSA-N
MW297.14 g/mol
LogP1.12
Rot. Bonds3

About 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium

2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium (PubChem CID 59959844) has the molecular formula C11H14NO3Y- and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium.

Molecular Properties

Compound Name2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium
PubChem CID59959844
Molecular FormulaC11H14NO3Y-
Molecular Weight297.14 g/mol
Exact Mass297.00
IUPAC Name2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium
SMILESCCc1cc(C)n([CH-]C(=O)O)c(=O)c1C.[Y]
InChIInChI=1S/C11H14NO3.Y/c1-4-9-5-7(2)12(6-10(13)14)11(15)8(9)3;/h5-6H,4H2,1-3H3,(H,13,14);/q-1;
InChIKeyFAUAWGMDJJKXMV-UHFFFAOYSA-N
XLogP1.12
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 51.12
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

2-(5-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 1096408
2-[(5-Fluoro-3-methylcyclohexa-1,5-diene-1-carbonyl)-methylamino]acetic acid
CID 89688677
(6-Methyl-2-oxo-4-trifluoromethyl-2H-pyridin-1-yl)-acetic acid
CID 102543981
2-(2-Oxocyclohepta[b]pyrrol-1-yl)acetic acid
CID 12852668
2-(3-Ethyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid
CID 12852673
5-Ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
CID 13597169
2-(3,6-Dimethyl-2-oxo-1-pyridinyl)acetic acid
CID 20641797
2-(2,3,4,5-Tetramethyl-6-oxo-1-pyridinyl)acetic acid
CID 22949189
2-(2,4-Dimethyl-6-oxo-1-pyridinyl)acetic acid
CID 46785850
1,4-Dimethyl-6-oxopyridine-2-carboxylic acid
CID 53665467
2-(2-oxo-4,8-dihydro-3H-1-benzazepin-1-yl)acetic acid
CID 69986894
2-(2-Oxo-6-propan-2-yl-1-pyridinyl)acetic acid
CID 89965745

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium?
The IUPAC name of 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium (CID 59959844) is 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium.
What is the SMILES notation for 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium?
The canonical SMILES for 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium is CCc1cc(C)n([CH-]C(=O)O)c(=O)c1C.[Y].
What is the InChIKey of 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium?
The InChIKey is FAUAWGMDJJKXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO3.Y/c1-4-9-5-7(2)12(6-10(13)14)11(15)8(9)3;/h5-6H,4H2,1-3H3,(H,13,14);/q-1;.
What are the key properties of 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium?
2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium has a molecular weight of 297.14 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium is sourced from PubChem (CID 59959844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).