(2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate

C14H13NO4S — CID 71931883

IUPAC(2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate
SMILESCCOC(=O)C(OC(=O)c1cccs1)c1cccnc1
InChIInChI=1S/C14H13NO4S/c1-2-18-14(17)12(10-5-3-7-15-9-10)19-13(16)11-6-4-8-20-11/h3-9,12H,2H2,1H3
InChIKeyBQZUJERHTIWRSA-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.60
Rot. Bonds5

About (2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate

(2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate (PubChem CID 71931883) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is (2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate
PubChem CID71931883
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name(2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate
SMILESCCOC(=O)C(OC(=O)c1cccs1)c1cccnc1
InChIInChI=1S/C14H13NO4S/c1-2-18-14(17)12(10-5-3-7-15-9-10)19-13(16)11-6-4-8-20-11/h3-9,12H,2H2,1H3
InChIKeyBQZUJERHTIWRSA-UHFFFAOYSA-N
XLogP2.60
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
CID 19697901
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
ethyl (2S)-2-cyano-2-pyridin-3-ylacetate
CID 86324961
ethoxycarbonyl thiophene-2-carboxylate
CID 174341165
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate
CID 43817599
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
1-aminopropan-2-yl thiophene-2-carboxylate
CID 175287982
ethyl 3-pyridin-3-ylpentanoate
CID 171747994

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate?
The IUPAC name of (2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate (CID 71931883) is (2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate.
What is the SMILES notation for (2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate?
The canonical SMILES for (2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate is CCOC(=O)C(OC(=O)c1cccs1)c1cccnc1.
What is the InChIKey of (2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate?
The InChIKey is BQZUJERHTIWRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-2-18-14(17)12(10-5-3-7-15-9-10)19-13(16)11-6-4-8-20-11/h3-9,12H,2H2,1H3.
What are the key properties of (2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate?
(2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxo-1-pyridin-3-ylethyl) thiophene-2-carboxylate is sourced from PubChem (CID 71931883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).