5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid

C10H12FNO3 — CID 82147478

IUPAC5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid
SMILESO=C(O)CCCCn1cc(F)ccc1=O
InChIInChI=1S/C10H12FNO3/c11-8-4-5-9(13)12(7-8)6-2-1-3-10(14)15/h4-5,7H,1-3,6H2,(H,14,15)
InChIKeyJKTNWKVDBSTYQA-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.24
Rot. Bonds5

About 5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid

5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid (PubChem CID 82147478) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid
PubChem CID82147478
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid
SMILESO=C(O)CCCCn1cc(F)ccc1=O
InChIInChI=1S/C10H12FNO3/c11-8-4-5-9(13)12(7-8)6-2-1-3-10(14)15/h4-5,7H,1-3,6H2,(H,14,15)
InChIKeyJKTNWKVDBSTYQA-UHFFFAOYSA-N
XLogP1.24
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid?
The IUPAC name of 5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid (CID 82147478) is 5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid.
What is the SMILES notation for 5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid?
The canonical SMILES for 5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid is O=C(O)CCCCn1cc(F)ccc1=O.
What is the InChIKey of 5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid?
The InChIKey is JKTNWKVDBSTYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-8-4-5-9(13)12(7-8)6-2-1-3-10(14)15/h4-5,7H,1-3,6H2,(H,14,15).
What are the key properties of 5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid?
5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-oxo-1-pyridinyl)pentanoic acid is sourced from PubChem (CID 82147478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).