furan-2-ylmethyl pyridine-3-carboxylate

C11H9NO3 — CID 4297039

IUPACfuran-2-ylmethyl pyridine-3-carboxylate
SMILESO=C(OCc1ccco1)c1cccnc1
InChIInChI=1S/C11H9NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h1-7H,8H2
InChIKeyADZXBEBBPNAVGN-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.03
Rot. Bonds3

About furan-2-ylmethyl pyridine-3-carboxylate

furan-2-ylmethyl pyridine-3-carboxylate (PubChem CID 4297039) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is furan-2-ylmethyl pyridine-3-carboxylate.

Molecular Properties

Compound Namefuran-2-ylmethyl pyridine-3-carboxylate
PubChem CID4297039
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namefuran-2-ylmethyl pyridine-3-carboxylate
SMILESO=C(OCc1ccco1)c1cccnc1
InChIInChI=1S/C11H9NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h1-7H,8H2
InChIKeyADZXBEBBPNAVGN-UHFFFAOYSA-N
XLogP2.03
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl pyridine-3-carboxylate?
The IUPAC name of furan-2-ylmethyl pyridine-3-carboxylate (CID 4297039) is furan-2-ylmethyl pyridine-3-carboxylate.
What is the SMILES notation for furan-2-ylmethyl pyridine-3-carboxylate?
The canonical SMILES for furan-2-ylmethyl pyridine-3-carboxylate is O=C(OCc1ccco1)c1cccnc1.
What is the InChIKey of furan-2-ylmethyl pyridine-3-carboxylate?
The InChIKey is ADZXBEBBPNAVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h1-7H,8H2.
What are the key properties of furan-2-ylmethyl pyridine-3-carboxylate?
furan-2-ylmethyl pyridine-3-carboxylate has a molecular weight of 203.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl pyridine-3-carboxylate is sourced from PubChem (CID 4297039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).