ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate

C18H15NO4 — CID 168527232

IUPACethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2ccc(-c3ccco3)cc2)c1
InChIInChI=1S/C18H15NO4/c1-2-21-18(20)14-9-10-19-17(12-14)23-15-7-5-13(6-8-15)16-4-3-11-22-16/h3-12H,2H2,1H3
InChIKeyYRBAPIWFMPLQQS-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.31
Rot. Bonds5

About ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate

ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate (PubChem CID 168527232) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate
PubChem CID168527232
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Nameethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2ccc(-c3ccco3)cc2)c1
InChIInChI=1S/C18H15NO4/c1-2-21-18(20)14-9-10-19-17(12-14)23-15-7-5-13(6-8-15)16-4-3-11-22-16/h3-12H,2H2,1H3
InChIKeyYRBAPIWFMPLQQS-UHFFFAOYSA-N
XLogP4.31
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate (CID 168527232) is ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate is CCOC(=O)c1ccnc(Oc2ccc(-c3ccco3)cc2)c1.
What is the InChIKey of ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate?
The InChIKey is YRBAPIWFMPLQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-2-21-18(20)14-9-10-19-17(12-14)23-15-7-5-13(6-8-15)16-4-3-11-22-16/h3-12H,2H2,1H3.
What are the key properties of ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate?
ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate is sourced from PubChem (CID 168527232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).