7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one

C13H8FNO2 — CID 14581297

IUPAC7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one
SMILESO=C1OC(c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C13H8FNO2/c14-9-5-3-8(4-6-9)12-11-10(13(16)17-12)2-1-7-15-11/h1-7,12H
InChIKeyDMOCYWIRGCITJK-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.48
Rot. Bonds1

About 7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one

7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one (PubChem CID 14581297) has the molecular formula C13H8FNO2 and a molecular weight of 229.21 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one
PubChem CID14581297
Molecular FormulaC13H8FNO2
Molecular Weight229.21 g/mol
Exact Mass229.05
IUPAC Name7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one
SMILESO=C1OC(c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C13H8FNO2/c14-9-5-3-8(4-6-9)12-11-10(13(16)17-12)2-1-7-15-11/h1-7,12H
InChIKeyDMOCYWIRGCITJK-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one (CID 14581297) is 7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one is O=C1OC(c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one?
The InChIKey is DMOCYWIRGCITJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO2/c14-9-5-3-8(4-6-9)12-11-10(13(16)17-12)2-1-7-15-11/h1-7,12H.
What are the key properties of 7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one?
7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one has a molecular weight of 229.21 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-7H-furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 14581297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).