ethyl 2-morpholin-4-ylpyridine-4-carboxylate

C12H16N2O3 — CID 2762944

IUPACethyl 2-morpholin-4-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C12H16N2O3/c1-2-17-12(15)10-3-4-13-11(9-10)14-5-7-16-8-6-14/h3-4,9H,2,5-8H2,1H3
InChIKeyUBQGLKBSCMRITK-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.09
Rot. Bonds3

About ethyl 2-morpholin-4-ylpyridine-4-carboxylate

ethyl 2-morpholin-4-ylpyridine-4-carboxylate (PubChem CID 2762944) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-morpholin-4-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-ylpyridine-4-carboxylate
PubChem CID2762944
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-morpholin-4-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C12H16N2O3/c1-2-17-12(15)10-3-4-13-11(9-10)14-5-7-16-8-6-14/h3-4,9H,2,5-8H2,1H3
InChIKeyUBQGLKBSCMRITK-UHFFFAOYSA-N
XLogP1.09
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-ylpyridine-4-carboxylate?
The IUPAC name of ethyl 2-morpholin-4-ylpyridine-4-carboxylate (CID 2762944) is ethyl 2-morpholin-4-ylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-morpholin-4-ylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2-morpholin-4-ylpyridine-4-carboxylate is CCOC(=O)c1ccnc(N2CCOCC2)c1.
What is the InChIKey of ethyl 2-morpholin-4-ylpyridine-4-carboxylate?
The InChIKey is UBQGLKBSCMRITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-17-12(15)10-3-4-13-11(9-10)14-5-7-16-8-6-14/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 2-morpholin-4-ylpyridine-4-carboxylate?
ethyl 2-morpholin-4-ylpyridine-4-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-ylpyridine-4-carboxylate is sourced from PubChem (CID 2762944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).