ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate

C22H16FNO3 — CID 59233708

IUPACethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate
SMILESCCOC(=O)c1cccc(-c2cnc3oc(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C22H16FNO3/c1-2-26-22(25)16-5-3-4-15(10-16)18-11-17-12-20(27-21(17)24-13-18)14-6-8-19(23)9-7-14/h3-13H,2H2,1H3
InChIKeyRGYKJVPWTPASLO-UHFFFAOYSA-N
MW361.37 g/mol
LogP5.48
Rot. Bonds4

About ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate

ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate (PubChem CID 59233708) has the molecular formula C22H16FNO3 and a molecular weight of 361.37 g/mol. Its IUPAC name is ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate.

Molecular Properties

Compound Nameethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate
PubChem CID59233708
Molecular FormulaC22H16FNO3
Molecular Weight361.37 g/mol
Exact Mass361.11
IUPAC Nameethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate
SMILESCCOC(=O)c1cccc(-c2cnc3oc(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C22H16FNO3/c1-2-26-22(25)16-5-3-4-15(10-16)18-11-17-12-20(27-21(17)24-13-18)14-6-8-19(23)9-7-14/h3-13H,2H2,1H3
InChIKeyRGYKJVPWTPASLO-UHFFFAOYSA-N
XLogP5.48
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.37
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate?
The IUPAC name of ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate (CID 59233708) is ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate.
What is the SMILES notation for ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate?
The canonical SMILES for ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate is CCOC(=O)c1cccc(-c2cnc3oc(-c4ccc(F)cc4)cc3c2)c1.
What is the InChIKey of ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate?
The InChIKey is RGYKJVPWTPASLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3/c1-2-26-22(25)16-5-3-4-15(10-16)18-11-17-12-20(27-21(17)24-13-18)14-6-8-19(23)9-7-14/h3-13H,2H2,1H3.
What are the key properties of ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate?
ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate has a molecular weight of 361.37 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-fluorophenyl)furo[2,3-b]pyridin-5-yl]benzoate is sourced from PubChem (CID 59233708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).