5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid

C11H12F3NO3 — CID 63279568

IUPAC5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid
SMILESO=C(O)CCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)8-4-5-9(16)15(7-8)6-2-1-3-10(17)18/h4-5,7H,1-3,6H2,(H,17,18)
InChIKeyIJQFNAYMBVVLEJ-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.12
Rot. Bonds5

About 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid

5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid (PubChem CID 63279568) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid.

Molecular Properties

Compound Name5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid
PubChem CID63279568
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid
SMILESO=C(O)CCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)8-4-5-9(16)15(7-8)6-2-1-3-10(17)18/h4-5,7H,1-3,6H2,(H,17,18)
InChIKeyIJQFNAYMBVVLEJ-UHFFFAOYSA-N
XLogP2.12
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.12
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-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid?
The IUPAC name of 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid (CID 63279568) is 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid.
What is the SMILES notation for 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid?
The canonical SMILES for 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid is O=C(O)CCCCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid?
The InChIKey is IJQFNAYMBVVLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)8-4-5-9(16)15(7-8)6-2-1-3-10(17)18/h4-5,7H,1-3,6H2,(H,17,18).
What are the key properties of 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid?
5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid has a molecular weight of 263.21 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid is sourced from PubChem (CID 63279568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).