3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid

C13H18FNO3 — CID 112586443

IUPAC3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid
SMILESCCCC(C(=O)O)C(O)(CC)c1ccc(F)cn1
InChIInChI=1S/C13H18FNO3/c1-3-5-10(12(16)17)13(18,4-2)11-7-6-9(14)8-15-11/h6-8,10,18H,3-5H2,1-2H3,(H,16,17)
InChIKeyNBQWZPYIKDDKJW-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.32
Rot. Bonds6

About 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid

3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid (PubChem CID 112586443) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid
PubChem CID112586443
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid
SMILESCCCC(C(=O)O)C(O)(CC)c1ccc(F)cn1
InChIInChI=1S/C13H18FNO3/c1-3-5-10(12(16)17)13(18,4-2)11-7-6-9(14)8-15-11/h6-8,10,18H,3-5H2,1-2H3,(H,16,17)
InChIKeyNBQWZPYIKDDKJW-UHFFFAOYSA-N
XLogP2.32
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid (CID 112586443) is 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid is CCCC(C(=O)O)C(O)(CC)c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid?
The InChIKey is NBQWZPYIKDDKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-3-5-10(12(16)17)13(18,4-2)11-7-6-9(14)8-15-11/h6-8,10,18H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid?
3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid has a molecular weight of 255.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid is sourced from PubChem (CID 112586443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).