ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate

C10H15NO3 — CID 135339865

IUPACethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate
SMILESCCOC(=O)CN1C=CC(O)=CC1C
InChIInChI=1S/C10H15NO3/c1-3-14-10(13)7-11-5-4-9(12)6-8(11)2/h4-6,8,12H,3,7H2,1-2H3
InChIKeyKOQNSYJSJKBOAR-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.21
Rot. Bonds3

About ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate

ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate (PubChem CID 135339865) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate
PubChem CID135339865
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate
SMILESCCOC(=O)CN1C=CC(O)=CC1C
InChIInChI=1S/C10H15NO3/c1-3-14-10(13)7-11-5-4-9(12)6-8(11)2/h4-6,8,12H,3,7H2,1-2H3
InChIKeyKOQNSYJSJKBOAR-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate (CID 135339865) is ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate is CCOC(=O)CN1C=CC(O)=CC1C.
What is the InChIKey of ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate?
The InChIKey is KOQNSYJSJKBOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-14-10(13)7-11-5-4-9(12)6-8(11)2/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate?
ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate has a molecular weight of 197.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate is sourced from PubChem (CID 135339865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).