1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

C19H15F2NO2 — CID 54687589

IUPAC1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1ccc(F)cc1
InChIInChI=1S/C19H15F2NO2/c20-15-5-1-13(2-6-15)11-17-18(23)9-10-22(19(17)24)12-14-3-7-16(21)8-4-14/h1-10,23H,11-12H2
InChIKeyRNZSAZBTWPQLMG-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.47
Rot. Bonds4

About 1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (PubChem CID 54687589) has the molecular formula C19H15F2NO2 and a molecular weight of 327.33 g/mol. Its IUPAC name is 1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
PubChem CID54687589
Molecular FormulaC19H15F2NO2
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Name1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1ccc(F)cc1
InChIInChI=1S/C19H15F2NO2/c20-15-5-1-13(2-6-15)11-17-18(23)9-10-22(19(17)24)12-14-3-7-16(21)8-4-14/h1-10,23H,11-12H2
InChIKeyRNZSAZBTWPQLMG-UHFFFAOYSA-N
XLogP3.47
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The IUPAC name of 1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (CID 54687589) is 1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is O=c1c(Cc2ccc(F)cc2)c(O)ccn1Cc1ccc(F)cc1.
What is the InChIKey of 1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The InChIKey is RNZSAZBTWPQLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2/c20-15-5-1-13(2-6-15)11-17-18(23)9-10-22(19(17)24)12-14-3-7-16(21)8-4-14/h1-10,23H,11-12H2.
What are the key properties of 1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one has a molecular weight of 327.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54687589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).