3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one

C16H13FN2O3 — CID 135829435

IUPAC3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(c2ccc(Oc3ccc(F)cc3)cn2)=C(O)C1=O
InChIInChI=1S/C16H13FN2O3/c1-19-9-13(15(20)16(19)21)14-7-6-12(8-18-14)22-11-4-2-10(17)3-5-11/h2-8,20H,9H2,1H3
InChIKeyNWQMWPOUJIHBCA-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.75
Rot. Bonds3

About 3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one

3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 135829435) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID135829435
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(c2ccc(Oc3ccc(F)cc3)cn2)=C(O)C1=O
InChIInChI=1S/C16H13FN2O3/c1-19-9-13(15(20)16(19)21)14-7-6-12(8-18-14)22-11-4-2-10(17)3-5-11/h2-8,20H,9H2,1H3
InChIKeyNWQMWPOUJIHBCA-UHFFFAOYSA-N
XLogP2.75
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (CID 135829435) is 3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is CN1CC(c2ccc(Oc3ccc(F)cc3)cn2)=C(O)C1=O.
What is the InChIKey of 3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is NWQMWPOUJIHBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-19-9-13(15(20)16(19)21)14-7-6-12(8-18-14)22-11-4-2-10(17)3-5-11/h2-8,20H,9H2,1H3.
What are the key properties of 3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 300.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenoxy)-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 135829435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).