methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate

C13H9NO3 — CID 69362978

IUPACmethyl [1]benzofuro[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(cn1)oc1ccccc12
InChIInChI=1S/C13H9NO3/c1-16-13(15)10-6-9-8-4-2-3-5-11(8)17-12(9)7-14-10/h2-7H,1H3
InChIKeyDIKKPEZZPGHPSY-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.77
Rot. Bonds1

About methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate

methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate (PubChem CID 69362978) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl [1]benzofuro[2,3-c]pyridine-3-carboxylate
PubChem CID69362978
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Namemethyl [1]benzofuro[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(cn1)oc1ccccc12
InChIInChI=1S/C13H9NO3/c1-16-13(15)10-6-9-8-4-2-3-5-11(8)17-12(9)7-14-10/h2-7H,1H3
InChIKeyDIKKPEZZPGHPSY-UHFFFAOYSA-N
XLogP2.77
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate (CID 69362978) is methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate is COC(=O)c1cc2c(cn1)oc1ccccc12.
What is the InChIKey of methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate?
The InChIKey is DIKKPEZZPGHPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c1-16-13(15)10-6-9-8-4-2-3-5-11(8)17-12(9)7-14-10/h2-7H,1H3.
What are the key properties of methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate?
methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate has a molecular weight of 227.22 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 69362978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).