[(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate

C19H16FNO3 — CID 60616102

IUPAC[(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate
SMILESCCc1ccc(C(=O)OC(c2cccc(F)c2)c2ccccn2)o1
InChIInChI=1S/C19H16FNO3/c1-2-15-9-10-17(23-15)19(22)24-18(16-8-3-4-11-21-16)13-6-5-7-14(20)12-13/h3-12,18H,2H2,1H3
InChIKeyWMCLCHSCIDKUJR-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.32
Rot. Bonds5

About [(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate

[(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate (PubChem CID 60616102) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is [(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate.

Molecular Properties

Compound Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate
PubChem CID60616102
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate
SMILESCCc1ccc(C(=O)OC(c2cccc(F)c2)c2ccccn2)o1
InChIInChI=1S/C19H16FNO3/c1-2-15-9-10-17(23-15)19(22)24-18(16-8-3-4-11-21-16)13-6-5-7-14(20)12-13/h3-12,18H,2H2,1H3
InChIKeyWMCLCHSCIDKUJR-UHFFFAOYSA-N
XLogP4.32
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate?
The IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate (CID 60616102) is [(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate.
What is the SMILES notation for [(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate?
The canonical SMILES for [(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate is CCc1ccc(C(=O)OC(c2cccc(F)c2)c2ccccn2)o1.
What is the InChIKey of [(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate?
The InChIKey is WMCLCHSCIDKUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-2-15-9-10-17(23-15)19(22)24-18(16-8-3-4-11-21-16)13-6-5-7-14(20)12-13/h3-12,18H,2H2,1H3.
What are the key properties of [(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate?
[(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-pyridin-2-ylmethyl] 5-ethylfuran-2-carboxylate is sourced from PubChem (CID 60616102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).