ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate

C14H13NO3 — CID 134978182

IUPACethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate
SMILESC=Cc1cc(C(=O)OCC)c(-c2cccnc2)o1
InChIInChI=1S/C14H13NO3/c1-3-11-8-12(14(16)17-4-2)13(18-11)10-6-5-7-15-9-10/h3,5-9H,1,4H2,2H3
InChIKeyBZNDGCXNQIRBGO-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.16
Rot. Bonds4

About ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate

ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate (PubChem CID 134978182) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate
PubChem CID134978182
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Nameethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate
SMILESC=Cc1cc(C(=O)OCC)c(-c2cccnc2)o1
InChIInChI=1S/C14H13NO3/c1-3-11-8-12(14(16)17-4-2)13(18-11)10-6-5-7-15-9-10/h3,5-9H,1,4H2,2H3
InChIKeyBZNDGCXNQIRBGO-UHFFFAOYSA-N
XLogP3.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate?
The IUPAC name of ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate (CID 134978182) is ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate.
What is the SMILES notation for ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate?
The canonical SMILES for ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate is C=Cc1cc(C(=O)OCC)c(-c2cccnc2)o1.
What is the InChIKey of ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate?
The InChIKey is BZNDGCXNQIRBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-3-11-8-12(14(16)17-4-2)13(18-11)10-6-5-7-15-9-10/h3,5-9H,1,4H2,2H3.
What are the key properties of ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate?
ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethenyl-2-pyridin-3-ylfuran-3-carboxylate is sourced from PubChem (CID 134978182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).