3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one

C19H16FNO4 — CID 165377857

IUPAC3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one
SMILESCOc1cccc(OC)c1C1C(O)=CC(=O)N=C1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c1-24-14-4-3-5-15(25-2)18(14)17-13(22)10-16(23)21-19(17)11-6-8-12(20)9-7-11/h3-10,17,22H,1-2H3
InChIKeyRQOHCFPHSWKJNM-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.40
Rot. Bonds4

About 3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one

3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one (PubChem CID 165377857) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one
PubChem CID165377857
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one
SMILESCOc1cccc(OC)c1C1C(O)=CC(=O)N=C1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c1-24-14-4-3-5-15(25-2)18(14)17-13(22)10-16(23)21-19(17)11-6-8-12(20)9-7-11/h3-10,17,22H,1-2H3
InChIKeyRQOHCFPHSWKJNM-UHFFFAOYSA-N
XLogP3.40
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one (CID 165377857) is 3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one is COc1cccc(OC)c1C1C(O)=CC(=O)N=C1c1ccc(F)cc1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one?
The InChIKey is RQOHCFPHSWKJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-24-14-4-3-5-15(25-2)18(14)17-13(22)10-16(23)21-19(17)11-6-8-12(20)9-7-11/h3-10,17,22H,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one?
3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one has a molecular weight of 341.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-2-(4-fluorophenyl)-4-hydroxy-3H-pyridin-6-one is sourced from PubChem (CID 165377857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).