5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one

C11H16FNO3 — CID 99831475

IUPAC5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one
SMILESCC(C)OC[C@@H](O)Cn1cc(F)ccc1=O
InChIInChI=1S/C11H16FNO3/c1-8(2)16-7-10(14)6-13-5-9(12)3-4-11(13)15/h3-5,8,10,14H,6-7H2,1-2H3/t10-/m0/s1
InChIKeyAVDXGRCTHPDQSW-JTQLQIEISA-N
MW229.25 g/mol
LogP0.77
Rot. Bonds5

About 5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one

5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one (PubChem CID 99831475) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one
PubChem CID99831475
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one
SMILESCC(C)OC[C@@H](O)Cn1cc(F)ccc1=O
InChIInChI=1S/C11H16FNO3/c1-8(2)16-7-10(14)6-13-5-9(12)3-4-11(13)15/h3-5,8,10,14H,6-7H2,1-2H3/t10-/m0/s1
InChIKeyAVDXGRCTHPDQSW-JTQLQIEISA-N
XLogP0.77
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one?
The IUPAC name of 5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one (CID 99831475) is 5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one is CC(C)OC[C@@H](O)Cn1cc(F)ccc1=O.
What is the InChIKey of 5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one?
The InChIKey is AVDXGRCTHPDQSW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16FNO3/c1-8(2)16-7-10(14)6-13-5-9(12)3-4-11(13)15/h3-5,8,10,14H,6-7H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one?
5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one has a molecular weight of 229.25 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]pyridin-2-one is sourced from PubChem (CID 99831475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).