ethyl 3-morpholin-4-ylpyridine-2-carboxylate

C12H16N2O3 — CID 126483068

IUPACethyl 3-morpholin-4-ylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1N1CCOCC1
InChIInChI=1S/C12H16N2O3/c1-2-17-12(15)11-10(4-3-5-13-11)14-6-8-16-9-7-14/h3-5H,2,6-9H2,1H3
InChIKeyBXCCASBNRTZSCR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.09
Rot. Bonds3

About ethyl 3-morpholin-4-ylpyridine-2-carboxylate

ethyl 3-morpholin-4-ylpyridine-2-carboxylate (PubChem CID 126483068) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 3-morpholin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-ylpyridine-2-carboxylate
PubChem CID126483068
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 3-morpholin-4-ylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1N1CCOCC1
InChIInChI=1S/C12H16N2O3/c1-2-17-12(15)11-10(4-3-5-13-11)14-6-8-16-9-7-14/h3-5H,2,6-9H2,1H3
InChIKeyBXCCASBNRTZSCR-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 3-morpholin-4-ylpyridine-2-carboxylate?
The IUPAC name of ethyl 3-morpholin-4-ylpyridine-2-carboxylate (CID 126483068) is ethyl 3-morpholin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-morpholin-4-ylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3-morpholin-4-ylpyridine-2-carboxylate is CCOC(=O)c1ncccc1N1CCOCC1.
What is the InChIKey of ethyl 3-morpholin-4-ylpyridine-2-carboxylate?
The InChIKey is BXCCASBNRTZSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-17-12(15)11-10(4-3-5-13-11)14-6-8-16-9-7-14/h3-5H,2,6-9H2,1H3.
What are the key properties of ethyl 3-morpholin-4-ylpyridine-2-carboxylate?
ethyl 3-morpholin-4-ylpyridine-2-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 3-morpholin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 126483068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).