3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one

C17H14FNO3 — CID 54696633

IUPAC3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1ccco1
InChIInChI=1S/C17H14FNO3/c18-13-5-3-12(4-6-13)10-15-16(20)7-8-19(17(15)21)11-14-2-1-9-22-14/h1-9,20H,10-11H2
InChIKeyRGEZSFMSEAFEDK-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.93
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one

3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one (PubChem CID 54696633) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one
PubChem CID54696633
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1ccco1
InChIInChI=1S/C17H14FNO3/c18-13-5-3-12(4-6-13)10-15-16(20)7-8-19(17(15)21)11-14-2-1-9-22-14/h1-9,20H,10-11H2
InChIKeyRGEZSFMSEAFEDK-UHFFFAOYSA-N
XLogP2.93
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one (CID 54696633) is 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one is O=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1ccco1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one?
The InChIKey is RGEZSFMSEAFEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-13-5-3-12(4-6-13)10-15-16(20)7-8-19(17(15)21)11-14-2-1-9-22-14/h1-9,20H,10-11H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one?
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one has a molecular weight of 299.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxypyridin-2-one is sourced from PubChem (CID 54696633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).