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

C14H10FNO2 — CID 59696269

IUPAC3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one
SMILESO=C1OCc2cc(Cc3ccc(F)cc3)cnc21
InChIInChI=1S/C14H10FNO2/c15-12-3-1-9(2-4-12)5-10-6-11-8-18-14(17)13(11)16-7-10/h1-4,6-7H,5,8H2
InChIKeyWPLIHOJPTDNKQR-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.48
Rot. Bonds2

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

3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one (PubChem CID 59696269) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one
PubChem CID59696269
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one
SMILESO=C1OCc2cc(Cc3ccc(F)cc3)cnc21
InChIInChI=1S/C14H10FNO2/c15-12-3-1-9(2-4-12)5-10-6-11-8-18-14(17)13(11)16-7-10/h1-4,6-7H,5,8H2
InChIKeyWPLIHOJPTDNKQR-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one (CID 59696269) is 3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one is O=C1OCc2cc(Cc3ccc(F)cc3)cnc21.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one?
The InChIKey is WPLIHOJPTDNKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-12-3-1-9(2-4-12)5-10-6-11-8-18-14(17)13(11)16-7-10/h1-4,6-7H,5,8H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one?
3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one has a molecular weight of 243.24 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5H-furo[3,4-b]pyridin-7-one is sourced from PubChem (CID 59696269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).