4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid

C10H10F3NO3 — CID 81320317

IUPAC4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid
SMILESO=C(O)CCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)7-3-1-4-8(15)14(7)6-2-5-9(16)17/h1,3-4H,2,5-6H2,(H,16,17)
InChIKeySJDKZOZTVZFZCD-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.73
Rot. Bonds4

About 4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid

4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid (PubChem CID 81320317) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid
PubChem CID81320317
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid
SMILESO=C(O)CCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)7-3-1-4-8(15)14(7)6-2-5-9(16)17/h1,3-4H,2,5-6H2,(H,16,17)
InChIKeySJDKZOZTVZFZCD-UHFFFAOYSA-N
XLogP1.73
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid (CID 81320317) is 4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid is O=C(O)CCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid?
The InChIKey is SJDKZOZTVZFZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)7-3-1-4-8(15)14(7)6-2-5-9(16)17/h1,3-4H,2,5-6H2,(H,16,17).
What are the key properties of 4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid?
4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid has a molecular weight of 249.19 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid is sourced from PubChem (CID 81320317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).