5-(2-oxo-1H-pyridin-3-yl)pentanoic acid

C10H13NO3 — CID 67456125

IUPAC5-(2-oxo-1H-pyridin-3-yl)pentanoic acid
SMILESO=C(O)CCCCc1ccc[nH]c1=O
InChIInChI=1S/C10H13NO3/c12-9(13)6-2-1-4-8-5-3-7-11-10(8)14/h3,5,7H,1-2,4,6H2,(H,11,14)(H,12,13)
InChIKeyGBJFMVXGCPERQP-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.17
Rot. Bonds5

About 5-(2-oxo-1H-pyridin-3-yl)pentanoic acid

5-(2-oxo-1H-pyridin-3-yl)pentanoic acid (PubChem CID 67456125) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(2-oxo-1H-pyridin-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-oxo-1H-pyridin-3-yl)pentanoic acid
PubChem CID67456125
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-(2-oxo-1H-pyridin-3-yl)pentanoic acid
SMILESO=C(O)CCCCc1ccc[nH]c1=O
InChIInChI=1S/C10H13NO3/c12-9(13)6-2-1-4-8-5-3-7-11-10(8)14/h3,5,7H,1-2,4,6H2,(H,11,14)(H,12,13)
InChIKeyGBJFMVXGCPERQP-UHFFFAOYSA-N
XLogP1.17
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-oxo-1H-pyridin-3-yl)pentanoic acid?
The IUPAC name of 5-(2-oxo-1H-pyridin-3-yl)pentanoic acid (CID 67456125) is 5-(2-oxo-1H-pyridin-3-yl)pentanoic acid.
What is the SMILES notation for 5-(2-oxo-1H-pyridin-3-yl)pentanoic acid?
The canonical SMILES for 5-(2-oxo-1H-pyridin-3-yl)pentanoic acid is O=C(O)CCCCc1ccc[nH]c1=O.
What is the InChIKey of 5-(2-oxo-1H-pyridin-3-yl)pentanoic acid?
The InChIKey is GBJFMVXGCPERQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9(13)6-2-1-4-8-5-3-7-11-10(8)14/h3,5,7H,1-2,4,6H2,(H,11,14)(H,12,13).
What are the key properties of 5-(2-oxo-1H-pyridin-3-yl)pentanoic acid?
5-(2-oxo-1H-pyridin-3-yl)pentanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-1H-pyridin-3-yl)pentanoic acid is sourced from PubChem (CID 67456125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).