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

C10H11F2NO3 — CID 112586440

IUPAC2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
SMILESCCC(O)(c1ccc(F)cn1)C(F)C(=O)O
InChIInChI=1S/C10H11F2NO3/c1-2-10(16,8(12)9(14)15)7-4-3-6(11)5-13-7/h3-5,8,16H,2H2,1H3,(H,14,15)
InChIKeyQBDHBWGEWAJMIZ-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.24
Rot. Bonds4

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

2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid (PubChem CID 112586440) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
PubChem CID112586440
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
SMILESCCC(O)(c1ccc(F)cn1)C(F)C(=O)O
InChIInChI=1S/C10H11F2NO3/c1-2-10(16,8(12)9(14)15)7-4-3-6(11)5-13-7/h3-5,8,16H,2H2,1H3,(H,14,15)
InChIKeyQBDHBWGEWAJMIZ-UHFFFAOYSA-N
XLogP1.24
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid?
The IUPAC name of 2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid (CID 112586440) is 2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid.
What is the SMILES notation for 2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid?
The canonical SMILES for 2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid is CCC(O)(c1ccc(F)cn1)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid?
The InChIKey is QBDHBWGEWAJMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-2-10(16,8(12)9(14)15)7-4-3-6(11)5-13-7/h3-5,8,16H,2H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid?
2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid has a molecular weight of 231.20 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid is sourced from PubChem (CID 112586440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).