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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
CID 10564172
ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate
CID 53377063
ethyl 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate
CID 118156288
ethyl 2-(2-methylphenyl)-4-oxochromene-3-carboxylate
CID 154714903
ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 59648581
ethyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 165441491
ethane;ethyl 4-[3-[(Z)-N-aminocarbamohydrazonoyl]phenyl]-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carboxylate
CID 144861996
ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate
CID 162414351
ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 59648476
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 2-chloro-1-benzofuran-3-carboxylate
CID 151284906

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).