ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate

C9H11NO4 — CID 18619272

IUPACethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1ncccc1O
InChIInChI=1S/C9H11NO4/c1-2-13-8(12)6-14-9-7(11)4-3-5-10-9/h3-5,11H,2,6H2,1H3
InChIKeyABMQGSICTIPMKL-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.73
Rot. Bonds4

About ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate

ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate (PubChem CID 18619272) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate
PubChem CID18619272
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Nameethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1ncccc1O
InChIInChI=1S/C9H11NO4/c1-2-13-8(12)6-14-9-7(11)4-3-5-10-9/h3-5,11H,2,6H2,1H3
InChIKeyABMQGSICTIPMKL-UHFFFAOYSA-N
XLogP0.73
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate?
The IUPAC name of ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate (CID 18619272) is ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate?
The canonical SMILES for ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate is CCOC(=O)COc1ncccc1O.
What is the InChIKey of ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate?
The InChIKey is ABMQGSICTIPMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-13-8(12)6-14-9-7(11)4-3-5-10-9/h3-5,11H,2,6H2,1H3.
What are the key properties of ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate?
ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate has a molecular weight of 197.19 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-hydroxy-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 18619272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).