1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one

C18H14F2N2O3 — CID 108630627

IUPAC1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)C1c1cccnc1
InChIInChI=1S/C18H14F2N2O3/c1-2-14(23)15-16(10-4-3-7-21-9-10)22(18(25)17(15)24)13-8-11(19)5-6-12(13)20/h3-9,16,24H,2H2,1H3
InChIKeyMBMJULDKLVJFFZ-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.24
Rot. Bonds4

About 1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one

1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108630627) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108630627
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)C1c1cccnc1
InChIInChI=1S/C18H14F2N2O3/c1-2-14(23)15-16(10-4-3-7-21-9-10)22(18(25)17(15)24)13-8-11(19)5-6-12(13)20/h3-9,16,24H,2H2,1H3
InChIKeyMBMJULDKLVJFFZ-UHFFFAOYSA-N
XLogP3.24
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591725
2-[4-(diethylamino)phenyl]-1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108711223
1-(2,5-difluorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108655776
1-(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108628981
1-(2,5-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627074
1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591468
2-(4-fluorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108642910
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,5-difluorophenyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108630615
1-(1H-benzimidazol-2-yl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592594
1-(4-chloro-2-methylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591898
(4E)-4-[(2-chloro-5-ethoxyphenyl)-hydroxymethylidene]-1-(2,5-difluorophenyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108630582
1-(2,5-difluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627088

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108630627) is 1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2cc(F)ccc2F)C1c1cccnc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is MBMJULDKLVJFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c1-2-14(23)15-16(10-4-3-7-21-9-10)22(18(25)17(15)24)13-8-11(19)5-6-12(13)20/h3-9,16,24H,2H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one?
1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 344.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108630627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).