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

C10H9ClF3NO3 — CID 82032105

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H9ClF3NO3/c1-9(2,8(17)18)15-4-5(10(12,13)14)3-6(11)7(15)16/h3-4H,1-2H3,(H,17,18)
InChIKeyWKQRZULRJKHGKM-UHFFFAOYSA-N
MW283.63 g/mol
LogP2.34
Rot. Bonds2

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2-methylpropanoic acid (PubChem CID 82032105) 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]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2-methylpropanoic acid
PubChem CID82032105
Molecular FormulaC10H9ClF3NO3
Molecular Weight283.63 g/mol
Exact Mass283.02
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H9ClF3NO3/c1-9(2,8(17)18)15-4-5(10(12,13)14)3-6(11)7(15)16/h3-4H,1-2H3,(H,17,18)
InChIKeyWKQRZULRJKHGKM-UHFFFAOYSA-N
XLogP2.34
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.63
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetic acid
CID 2463145
2-[5-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 135363600
2-[3-Chloro-5-(difluoromethyl)-2-oxopyridin-1-yl]acetic acid
CID 135364076
2-[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 2463144
Methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetate
CID 17433593
3-(3-Chloro-2-oxo-5-(trifluoromethyl)-2H-pyridin-1-YL)propionic acid
CID 57368019
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 63279567
2-[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoic acid
CID 82032063
2-[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-3-methylbutanoic acid
CID 82032074
3-[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2,2-dimethylpropanoic acid
CID 82032080
2-[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid
CID 82032096
2-[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 82143354

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2-methylpropanoic acid (CID 82032105) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2-methylpropanoic acid is CC(C)(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]-2-methylpropanoic acid?
The InChIKey is WKQRZULRJKHGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO3/c1-9(2,8(17)18)15-4-5(10(12,13)14)3-6(11)7(15)16/h3-4H,1-2H3,(H,17,18).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2-methylpropanoic acid?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-2-methylpropanoic acid has a molecular weight of 283.63 g/mol, XLogP of 2.34, 2 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]-2-methylpropanoic acid is sourced from PubChem (CID 82032105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).