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

C14H11NO4 — CID 10587229

IUPACmethyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cn(C)c2c(oc3ccccc32)c1=O
InChIInChI=1S/C14H11NO4/c1-15-7-9(14(17)18-2)12(16)13-11(15)8-5-3-4-6-10(8)19-13/h3-7H,1-2H3
InChIKeyGSSVIKSBDPMIRH-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.07
Rot. Bonds1

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

methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate (PubChem CID 10587229) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate
PubChem CID10587229
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Namemethyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cn(C)c2c(oc3ccccc32)c1=O
InChIInChI=1S/C14H11NO4/c1-15-7-9(14(17)18-2)12(16)13-11(15)8-5-3-4-6-10(8)19-13/h3-7H,1-2H3
InChIKeyGSSVIKSBDPMIRH-UHFFFAOYSA-N
XLogP2.07
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-chloro-1-methyl-4,10-dioxochromeno[3,2-b]pyridine-3-carboxylate
CID 21389231
dimethyl 2,6-dimethyl-4-(1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridin-2-yl)pyridine-3,5-dicarboxylate
CID 10764594
dimethyl dibenzofuran-1,2-dicarboxylate
CID 18366725
methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate
CID 102039945
dimethyl 3-dibenzofuran-4-yl-1-phenylpyrazole-4,5-dicarboxylate
CID 169387636
methyl 2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-11-carboxylate
CID 59094591
methyl 3-ethyl-2-oxo-1,3-benzoxazole-4-carboxylate
CID 58297706
methyl dibenzofuran-2-carboxylate
CID 3702628
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate
CID 162414351
methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 1475272
methyl 2-[(4-hydroxy-2-oxochromen-3-yl)methyl]benzoate
CID 54690322

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
The IUPAC name of methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate (CID 10587229) is methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate is COC(=O)c1cn(C)c2c(oc3ccccc32)c1=O.
What is the InChIKey of methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
The InChIKey is GSSVIKSBDPMIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-15-7-9(14(17)18-2)12(16)13-11(15)8-5-3-4-6-10(8)19-13/h3-7H,1-2H3.
What are the key properties of methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate?
methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 10587229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).