ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate

C12H11NO3 — CID 5323740

IUPACethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate
SMILESC=Cc1nc(C(=O)OCC)cc2occc12
InChIInChI=1S/C12H11NO3/c1-3-9-8-5-6-16-11(8)7-10(13-9)12(14)15-4-2/h3,5-7H,1,4H2,2H3
InChIKeyMKJUJZKHFLNGDG-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.65
Rot. Bonds3

About ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate

ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate (PubChem CID 5323740) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate
PubChem CID5323740
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate
SMILESC=Cc1nc(C(=O)OCC)cc2occc12
InChIInChI=1S/C12H11NO3/c1-3-9-8-5-6-16-11(8)7-10(13-9)12(14)15-4-2/h3,5-7H,1,4H2,2H3
InChIKeyMKJUJZKHFLNGDG-UHFFFAOYSA-N
XLogP2.65
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate (CID 5323740) is ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate is C=Cc1nc(C(=O)OCC)cc2occc12.
What is the InChIKey of ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate?
The InChIKey is MKJUJZKHFLNGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-3-9-8-5-6-16-11(8)7-10(13-9)12(14)15-4-2/h3,5-7H,1,4H2,2H3.
What are the key properties of ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate?
ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 5323740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).