ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate

C12H15NO4 — CID 12908749

IUPACethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C2COCCO2)c1
InChIInChI=1S/C12H15NO4/c1-2-16-12(14)9-3-4-13-10(7-9)11-8-15-5-6-17-11/h3-4,7,11H,2,5-6,8H2,1H3
InChIKeyJJBJTEHJFMJZSE-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.35
Rot. Bonds3

About ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate

ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate (PubChem CID 12908749) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate
PubChem CID12908749
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(C2COCCO2)c1
InChIInChI=1S/C12H15NO4/c1-2-16-12(14)9-3-4-13-10(7-9)11-8-15-5-6-17-11/h3-4,7,11H,2,5-6,8H2,1H3
InChIKeyJJBJTEHJFMJZSE-UHFFFAOYSA-N
XLogP1.35
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(1,3-dioxolan-2-ylmethyl)benzoate
CID 24727470
ethyl 2-(fluoromethyl)pyridine-4-carboxylate
CID 75530092
ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
CID 122378001
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
ethyl 4-(oxiran-2-yl)benzoate
CID 22123819
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 2,6-bis(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;trichlororuthenium
CID 145155892
ethyl 4-amino-3-(oxolan-3-ylmethoxy)benzoate
CID 82796221
ethyl 2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-9-carboxylate
CID 138479505
diethyl 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarboxylate
CID 3590202
ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate
CID 22557799
ethyl 3-(2-phenyloxan-4-yl)benzoate
CID 134942481

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate (CID 12908749) is ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate is CCOC(=O)c1ccnc(C2COCCO2)c1.
What is the InChIKey of ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate?
The InChIKey is JJBJTEHJFMJZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-16-12(14)9-3-4-13-10(7-9)11-8-15-5-6-17-11/h3-4,7,11H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate?
ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-dioxan-2-yl)pyridine-4-carboxylate is sourced from PubChem (CID 12908749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).