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

C10H10N2O3 — CID 134128969

IUPACethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1ncccc1C#N
InChIInChI=1S/C10H10N2O3/c1-2-14-9(13)7-15-10-8(6-11)4-3-5-12-10/h3-5H,2,7H2,1H3
InChIKeyNHXMNCLGAIALLI-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.90
Rot. Bonds4

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

ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate (PubChem CID 134128969) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
PubChem CID134128969
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
SMILESCCOC(=O)COc1ncccc1C#N
InChIInChI=1S/C10H10N2O3/c1-2-14-9(13)7-15-10-8(6-11)4-3-5-12-10/h3-5H,2,7H2,1H3
InChIKeyNHXMNCLGAIALLI-UHFFFAOYSA-N
XLogP0.90
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate
CID 130194329
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
ethyl 2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122249076
2-hexoxypyridine-3-carbonitrile
CID 29001326
2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428
ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate
CID 164553275
ethyl 4-(2-amino-3-pyridinyl)but-3-ynoate
CID 170470682
methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate
CID 117096453
ethyl 2-[2-cyano-4-(2-hydroxyethyl)phenoxy]acetate
CID 18620086
2-(3-acetylphenoxy)pyridine-3-carbonitrile
CID 18194838
2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile
CID 66231573
(2-cyanophenyl) 2-ethoxypyridine-3-carboxylate
CID 17444587

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate?
The IUPAC name of ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate (CID 134128969) is ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate?
The canonical SMILES for ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate is CCOC(=O)COc1ncccc1C#N.
What is the InChIKey of ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate?
The InChIKey is NHXMNCLGAIALLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-14-9(13)7-15-10-8(6-11)4-3-5-12-10/h3-5H,2,7H2,1H3.
What are the key properties of ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate?
ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate has a molecular weight of 206.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 134128969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).