benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate

C15H11NO4 — CID 118027015

IUPACbenzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate
SMILESO=C(OCc1ccccc1)c1cc2c(=O)[nH]ccc2o1
InChIInChI=1S/C15H11NO4/c17-14-11-8-13(20-12(11)6-7-16-14)15(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyVLKWLCAOGHMWAO-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.48
Rot. Bonds3

About benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate

benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate (PubChem CID 118027015) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate
PubChem CID118027015
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Namebenzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate
SMILESO=C(OCc1ccccc1)c1cc2c(=O)[nH]ccc2o1
InChIInChI=1S/C15H11NO4/c17-14-11-8-13(20-12(11)6-7-16-14)15(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyVLKWLCAOGHMWAO-UHFFFAOYSA-N
XLogP2.48
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate (CID 118027015) is benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate is O=C(OCc1ccccc1)c1cc2c(=O)[nH]ccc2o1.
What is the InChIKey of benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is VLKWLCAOGHMWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-14-11-8-13(20-12(11)6-7-16-14)15(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate?
benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxo-5H-furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 118027015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).