ethyl 2-pyridin-3-yloxyacetate

C9H11NO3 — CID 4763754

IUPACethyl 2-pyridin-3-yloxyacetate
SMILESCCOC(=O)COc1cccnc1
InChIInChI=1S/C9H11NO3/c1-2-12-9(11)7-13-8-4-3-5-10-6-8/h3-6H,2,7H2,1H3
InChIKeyXNRUOZBZALSKNK-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.02
Rot. Bonds4

About ethyl 2-pyridin-3-yloxyacetate

ethyl 2-pyridin-3-yloxyacetate (PubChem CID 4763754) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 2-pyridin-3-yloxyacetate.

Molecular Properties

Compound Nameethyl 2-pyridin-3-yloxyacetate
PubChem CID4763754
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 2-pyridin-3-yloxyacetate
SMILESCCOC(=O)COc1cccnc1
InChIInChI=1S/C9H11NO3/c1-2-12-9(11)7-13-8-4-3-5-10-6-8/h3-6H,2,7H2,1H3
InChIKeyXNRUOZBZALSKNK-UHFFFAOYSA-N
XLogP1.02
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridostigmine Bromide
CID 7550
Pyridostigmine
CID 4991
3-Methoxypyridine
CID 23719
3-Pyridyl acetate
CID 87289
Norpyridostigmine
CID 98821
A-85380
CID 5310969
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
3-(2-Azetidinylmethoxy)pyridine
CID 1962
3-[[(2S)-1-Methyl-2-azetidinyl]methoxy]pyridine
CID 10654912

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridin-3-yloxyacetate?
The IUPAC name of ethyl 2-pyridin-3-yloxyacetate (CID 4763754) is ethyl 2-pyridin-3-yloxyacetate.
What is the SMILES notation for ethyl 2-pyridin-3-yloxyacetate?
The canonical SMILES for ethyl 2-pyridin-3-yloxyacetate is CCOC(=O)COc1cccnc1.
What is the InChIKey of ethyl 2-pyridin-3-yloxyacetate?
The InChIKey is XNRUOZBZALSKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-12-9(11)7-13-8-4-3-5-10-6-8/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-pyridin-3-yloxyacetate?
ethyl 2-pyridin-3-yloxyacetate has a molecular weight of 181.19 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridin-3-yloxyacetate is sourced from PubChem (CID 4763754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).