5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid

C16H16FNO3 — CID 68957237

IUPAC5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid
SMILESO=C(O)CC(O)CC(F)(c1ccccc1)c1cccnc1
InChIInChI=1S/C16H16FNO3/c17-16(10-14(19)9-15(20)21,12-5-2-1-3-6-12)13-7-4-8-18-11-13/h1-8,11,14,19H,9-10H2,(H,20,21)
InChIKeyLZZDRXWFILLOCI-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.52
Rot. Bonds6

About 5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid

5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid (PubChem CID 68957237) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid
PubChem CID68957237
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid
SMILESO=C(O)CC(O)CC(F)(c1ccccc1)c1cccnc1
InChIInChI=1S/C16H16FNO3/c17-16(10-14(19)9-15(20)21,12-5-2-1-3-6-12)13-7-4-8-18-11-13/h1-8,11,14,19H,9-10H2,(H,20,21)
InChIKeyLZZDRXWFILLOCI-UHFFFAOYSA-N
XLogP2.52
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid?
The IUPAC name of 5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid (CID 68957237) is 5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid.
What is the SMILES notation for 5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid?
The canonical SMILES for 5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid is O=C(O)CC(O)CC(F)(c1ccccc1)c1cccnc1.
What is the InChIKey of 5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid?
The InChIKey is LZZDRXWFILLOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-16(10-14(19)9-15(20)21,12-5-2-1-3-6-12)13-7-4-8-18-11-13/h1-8,11,14,19H,9-10H2,(H,20,21).
What are the key properties of 5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid?
5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid has a molecular weight of 289.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-5-phenyl-5-pyridin-3-ylpentanoic acid is sourced from PubChem (CID 68957237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).