ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate

C14H11NO4 — CID 10777524

IUPACethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2oc3ccccc3c2[nH]1
InChIInChI=1S/C14H11NO4/c1-2-18-14(17)9-7-10(16)13-12(15-9)8-5-3-4-6-11(8)19-13/h3-7H,2H2,1H3,(H,15,16)
InChIKeyNSIOYWHJXRNEST-UHFFFAOYSA-N
MW257.24 g/mol
LogP2.45
Rot. Bonds2

About ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate

ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate (PubChem CID 10777524) has the molecular formula C14H11NO4 and a molecular weight of 257.24 g/mol. Its IUPAC name is ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate
PubChem CID10777524
Molecular FormulaC14H11NO4
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Nameethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2oc3ccccc3c2[nH]1
InChIInChI=1S/C14H11NO4/c1-2-18-14(17)9-7-10(16)13-12(15-9)8-5-3-4-6-11(8)19-13/h3-7H,2H2,1H3,(H,15,16)
InChIKeyNSIOYWHJXRNEST-UHFFFAOYSA-N
XLogP2.45
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate (CID 10777524) is ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate is CCOC(=O)c1cc(=O)c2oc3ccccc3c2[nH]1.
What is the InChIKey of ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate?
The InChIKey is NSIOYWHJXRNEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-2-18-14(17)9-7-10(16)13-12(15-9)8-5-3-4-6-11(8)19-13/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate?
ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate has a molecular weight of 257.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 10777524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).