3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+)

C10H12NO2Y+2 — CID 23395992

IUPAC3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+)
SMILESCCc1[c-]c(C)c(C)nc1C(=O)O.[Y+3]
InChIInChI=1S/C10H12NO2.Y/c1-4-8-5-6(2)7(3)11-9(8)10(12)13;/h4H2,1-3H3,(H,12,13);/q-1;+3
InChIKeyYLGDOZOQENCEOW-UHFFFAOYSA-N
MW267.12 g/mol
LogP1.76
Rot. Bonds2

About 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+)

3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+) (PubChem CID 23395992) has the molecular formula C10H12NO2Y+2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+).

Molecular Properties

Compound Name3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+)
PubChem CID23395992
Molecular FormulaC10H12NO2Y+2
Molecular Weight267.12 g/mol
Exact Mass266.99
IUPAC Name3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+)
SMILESCCc1[c-]c(C)c(C)nc1C(=O)O.[Y+3]
InChIInChI=1S/C10H12NO2.Y/c1-4-8-5-6(2)7(3)11-9(8)10(12)13;/h4H2,1-3H3,(H,12,13);/q-1;+3
InChIKeyYLGDOZOQENCEOW-UHFFFAOYSA-N
XLogP1.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+)?
The IUPAC name of 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+) (CID 23395992) is 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+).
What is the SMILES notation for 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+)?
The canonical SMILES for 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+) is CCc1[c-]c(C)c(C)nc1C(=O)O.[Y+3].
What is the InChIKey of 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+)?
The InChIKey is YLGDOZOQENCEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO2.Y/c1-4-8-5-6(2)7(3)11-9(8)10(12)13;/h4H2,1-3H3,(H,12,13);/q-1;+3.
What are the key properties of 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+)?
3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+) has a molecular weight of 267.12 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carboxylic acid;yttrium(3+) is sourced from PubChem (CID 23395992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).