2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid

C10H9ClF3NO3 — CID 82032096

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid
SMILESCCC(C(=O)O)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H9ClF3NO3/c1-2-7(9(17)18)15-4-5(10(12,13)14)3-6(11)8(15)16/h3-4,7H,2H2,1H3,(H,17,18)
InChIKeyJDYGDTMLVNPZKU-UHFFFAOYSA-N
MW283.63 g/mol
LogP2.56
Rot. Bonds3

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid (PubChem CID 82032096) has the molecular formula C10H9ClF3NO3 and a molecular weight of 283.63 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid
PubChem CID82032096
Molecular FormulaC10H9ClF3NO3
Molecular Weight283.63 g/mol
Exact Mass283.02
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid
SMILESCCC(C(=O)O)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H9ClF3NO3/c1-2-7(9(17)18)15-4-5(10(12,13)14)3-6(11)8(15)16/h3-4,7H,2H2,1H3,(H,17,18)
InChIKeyJDYGDTMLVNPZKU-UHFFFAOYSA-N
XLogP2.56
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.63
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid (CID 82032096) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid is CCC(C(=O)O)n1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid?
The InChIKey is JDYGDTMLVNPZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO3/c1-2-7(9(17)18)15-4-5(10(12,13)14)3-6(11)8(15)16/h3-4,7H,2H2,1H3,(H,17,18).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid has a molecular weight of 283.63 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82032096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).