pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate

C17H15NO3 — CID 18872561

IUPACpyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2occ(CC(=O)Oc3cccnc3)c2c1
InChIInChI=1S/C17H15NO3/c1-2-12-5-6-16-15(8-12)13(11-20-16)9-17(19)21-14-4-3-7-18-10-14/h3-8,10-11H,2,9H2,1H3
InChIKeyVQXKRPJSKMNPLM-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.54
Rot. Bonds4

About pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate

pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 18872561) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Namepyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
PubChem CID18872561
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namepyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2occ(CC(=O)Oc3cccnc3)c2c1
InChIInChI=1S/C17H15NO3/c1-2-12-5-6-16-15(8-12)13(11-20-16)9-17(19)21-14-4-3-7-18-10-14/h3-8,10-11H,2,9H2,1H3
InChIKeyVQXKRPJSKMNPLM-UHFFFAOYSA-N
XLogP3.54
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872556
(4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18860513
naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872546
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
(4-methylphenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18872439
[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174169
pyridin-3-yl 2-pyridin-3-ylacetate
CID 142079829
2-(5-methyl-1-benzofuran-3-yl)-N-pyridin-3-ylacetamide
CID 2973081
(4-chlorophenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18860472
2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860488
pyridin-3-yl 2-(2-bromo-5-methyl-1-benzofuran-3-yl)acetate
CID 156620508
N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide
CID 18872538

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate (CID 18872561) is pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate is CCc1ccc2occ(CC(=O)Oc3cccnc3)c2c1.
What is the InChIKey of pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is VQXKRPJSKMNPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-12-5-6-16-15(8-12)13(11-20-16)9-17(19)21-14-4-3-7-18-10-14/h3-8,10-11H,2,9H2,1H3.
What are the key properties of pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 281.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 18872561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).