ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate

C12H13N3O3 — CID 122249189

IUPACethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
SMILESCCOC(=O)N1CC(Oc2ncccc2C#N)C1
InChIInChI=1S/C12H13N3O3/c1-2-17-12(16)15-7-10(8-15)18-11-9(6-13)4-3-5-14-11/h3-5,10H,2,7-8H2,1H3
InChIKeyAZPTUTYJJJPDSE-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.17
Rot. Bonds3

About ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate

ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate (PubChem CID 122249189) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
PubChem CID122249189
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
SMILESCCOC(=O)N1CC(Oc2ncccc2C#N)C1
InChIInChI=1S/C12H13N3O3/c1-2-17-12(16)15-7-10(8-15)18-11-9(6-13)4-3-5-14-11/h3-5,10H,2,7-8H2,1H3
InChIKeyAZPTUTYJJJPDSE-UHFFFAOYSA-N
XLogP1.17
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122249076
2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249102
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249169
2-[1-(4-chlorobutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249080
3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122249279
2-[1-(4-tert-butylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249089
N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122249265
2-[1-(2,5-dimethylfuran-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249209
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249271
3-[(3-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122249293
2-[1-(4-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249124

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate?
The IUPAC name of ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate (CID 122249189) is ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate?
The canonical SMILES for ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate is CCOC(=O)N1CC(Oc2ncccc2C#N)C1.
What is the InChIKey of ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate?
The InChIKey is AZPTUTYJJJPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-17-12(16)15-7-10(8-15)18-11-9(6-13)4-3-5-14-11/h3-5,10H,2,7-8H2,1H3.
What are the key properties of ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate?
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate is sourced from PubChem (CID 122249189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).