ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate

C11H15NO3 — CID 59570481

IUPACethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(C)nc1C
InChIInChI=1S/C11H15NO3/c1-4-15-11(14)10(13)9-6-5-7(2)12-8(9)3/h5-6,10,13H,4H2,1-3H3
InChIKeyYTLCUHFXPSBULL-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.29
Rot. Bonds3

About ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate

ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate (PubChem CID 59570481) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate
PubChem CID59570481
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(C)nc1C
InChIInChI=1S/C11H15NO3/c1-4-15-11(14)10(13)9-6-5-7(2)12-8(9)3/h5-6,10,13H,4H2,1-3H3
InChIKeyYTLCUHFXPSBULL-UHFFFAOYSA-N
XLogP1.29
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-hydroxy-2-(pyridin-3-yl)acetate hydrochloride
CID 50988243
Methyl 2-hydroxy-2-(pyridin-3-yl)acetate hydrochloride
CID 50988556
2-Hydroxy-2-(3-methylpyridin-2-yl)acetic acid hydrochloride
CID 86812467
Methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
Sodium 2-hydroxy-2-(6-methylpyridin-2-yl)acetate
CID 146050028
2-(2,6-Dimethylpyridin-3-yl)acetic acid
CID 33728565
(S)-methyl 2-(4-chloro-2-methylquinolin-3-yl)-2-hydroxyacetate
CID 70854636
Ethyl 2-hydroxy-2-(pyridin-3-yl)acetate
CID 13672729
6-Methyl-2-pyridineglycolic acid
CID 45357333
2-Hydroxy-2-(3-methylpyridin-2-YL)acetic acid
CID 45357334
Methyl 2-(5-fluoro-4-iodo-2-methylquinolin-3-yl)-2-hydroxyacetate
CID 58125454
Ethyl 2,2-difluoro-2-[5-(1-hydroxyethyl)-2-pyridinyl]acetate
CID 71176911

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate (CID 59570481) is ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate is CCOC(=O)C(O)c1ccc(C)nc1C.
What is the InChIKey of ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate?
The InChIKey is YTLCUHFXPSBULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-15-11(14)10(13)9-6-5-7(2)12-8(9)3/h5-6,10,13H,4H2,1-3H3.
What are the key properties of ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate?
ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate has a molecular weight of 209.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate is sourced from PubChem (CID 59570481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).