methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate

C11H15NO4 — CID 14918496

IUPACmethyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate
SMILESCCOC(=O)CC1C=CN(C(=O)OC)C=C1
InChIInChI=1S/C11H15NO4/c1-3-16-10(13)8-9-4-6-12(7-5-9)11(14)15-2/h4-7,9H,3,8H2,1-2H3
InChIKeyFRIWDIGRKQSDQT-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.67
Rot. Bonds3

About methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate

methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate (PubChem CID 14918496) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate
PubChem CID14918496
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate
SMILESCCOC(=O)CC1C=CN(C(=O)OC)C=C1
InChIInChI=1S/C11H15NO4/c1-3-16-10(13)8-9-4-6-12(7-5-9)11(14)15-2/h4-7,9H,3,8H2,1-2H3
InChIKeyFRIWDIGRKQSDQT-UHFFFAOYSA-N
XLogP1.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate (CID 14918496) is methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate is CCOC(=O)CC1C=CN(C(=O)OC)C=C1.
What is the InChIKey of methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate?
The InChIKey is FRIWDIGRKQSDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-16-10(13)8-9-4-6-12(7-5-9)11(14)15-2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate?
methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate is sourced from PubChem (CID 14918496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).