3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid

C9H10FNO3 — CID 83129209

IUPAC3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid
SMILESCC(O)(CC(=O)O)c1ccc(F)cn1
InChIInChI=1S/C9H10FNO3/c1-9(14,4-8(12)13)7-3-2-6(10)5-11-7/h2-3,5,14H,4H2,1H3,(H,12,13)
InChIKeyHBTQXFHCBGRCBR-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.90
Rot. Bonds3

About 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid

3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid (PubChem CID 83129209) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid
PubChem CID83129209
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid
SMILESCC(O)(CC(=O)O)c1ccc(F)cn1
InChIInChI=1S/C9H10FNO3/c1-9(14,4-8(12)13)7-3-2-6(10)5-11-7/h2-3,5,14H,4H2,1H3,(H,12,13)
InChIKeyHBTQXFHCBGRCBR-UHFFFAOYSA-N
XLogP0.90
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.90
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-hydroxybutanoic acid?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid (CID 83129209) is 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid is CC(O)(CC(=O)O)c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid?
The InChIKey is HBTQXFHCBGRCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-9(14,4-8(12)13)7-3-2-6(10)5-11-7/h2-3,5,14H,4H2,1H3,(H,12,13).
What are the key properties of 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid?
3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoic acid has a molecular weight of 199.18 g/mol, XLogP of 0.90, 3 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-hydroxybutanoic acid is sourced from PubChem (CID 83129209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).