ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate

C17H15NO3 — CID 13365786

IUPACethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(Cc3cccnc3)cc2o1
InChIInChI=1S/C17H15NO3/c1-2-20-17(19)16-10-14-6-5-12(9-15(14)21-16)8-13-4-3-7-18-11-13/h3-7,9-11H,2,8H2,1H3
InChIKeyPHAZJKJOFFTSDI-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.60
Rot. Bonds4

About ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate

ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate (PubChem CID 13365786) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate
PubChem CID13365786
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Nameethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(Cc3cccnc3)cc2o1
InChIInChI=1S/C17H15NO3/c1-2-20-17(19)16-10-14-6-5-12(9-15(14)21-16)8-13-4-3-7-18-11-13/h3-7,9-11H,2,8H2,1H3
InChIKeyPHAZJKJOFFTSDI-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid
CID 13365788
ethyl 6-(chlorosulfonylmethyl)-1-benzofuran-2-carboxylate
CID 169244684
5-(pyridin-3-ylmethyl)-1,3-benzodioxol-2-one
CID 13475600
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835
methyl 2-amino-5-(pyridin-3-ylmethyl)benzoate
CID 19381132
ethyl 6-pent-2-en-3-yl-1-benzofuran-2-carboxylate
CID 68814100
ethyl 3-oxo-2-[4-(pyridin-3-ylmethyl)phenoxy]butanoate
CID 70479044
2-methyl-4-(pyridin-3-ylmethyl)phenol
CID 13365794
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 6-carbamimidoyl-1-benzofuran-2-carboxylate;hydrochloride
CID 18919452
ethyl 7-[[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]-1-benzofuran-2-carboxylate
CID 68656626

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate (CID 13365786) is ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2ccc(Cc3cccnc3)cc2o1.
What is the InChIKey of ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate?
The InChIKey is PHAZJKJOFFTSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-20-17(19)16-10-14-6-5-12(9-15(14)21-16)8-13-4-3-7-18-11-13/h3-7,9-11H,2,8H2,1H3.
What are the key properties of ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate?
ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 13365786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).