[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate

C17H13NO6 — CID 4534837

IUPAC[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
SMILESO=C(OCc1cncc(COC(=O)c2ccco2)c1)c1ccco1
InChIInChI=1S/C17H13NO6/c19-16(14-3-1-5-21-14)23-10-12-7-13(9-18-8-12)11-24-17(20)15-4-2-6-22-15/h1-9H,10-11H2
InChIKeyLBGYPJQGDMRIAS-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.98
Rot. Bonds6

About [5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate

[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate (PubChem CID 4534837) has the molecular formula C17H13NO6 and a molecular weight of 327.29 g/mol. Its IUPAC name is [5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
PubChem CID4534837
Molecular FormulaC17H13NO6
Molecular Weight327.29 g/mol
Exact Mass327.07
IUPAC Name[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
SMILESO=C(OCc1cncc(COC(=O)c2ccco2)c1)c1ccco1
InChIInChI=1S/C17H13NO6/c19-16(14-3-1-5-21-14)23-10-12-7-13(9-18-8-12)11-24-17(20)15-4-2-6-22-15/h1-9H,10-11H2
InChIKeyLBGYPJQGDMRIAS-UHFFFAOYSA-N
XLogP2.98
TPSA91.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate?
The IUPAC name of [5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate (CID 4534837) is [5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate.
What is the SMILES notation for [5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate?
The canonical SMILES for [5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate is O=C(OCc1cncc(COC(=O)c2ccco2)c1)c1ccco1.
What is the InChIKey of [5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate?
The InChIKey is LBGYPJQGDMRIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO6/c19-16(14-3-1-5-21-14)23-10-12-7-13(9-18-8-12)11-24-17(20)15-4-2-6-22-15/h1-9H,10-11H2.
What are the key properties of [5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate?
[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate has a molecular weight of 327.29 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate is sourced from PubChem (CID 4534837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).