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

C8H6F3NO3 — CID 702585

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)5-1-2-6(13)12(3-5)4-7(14)15/h1-3H,4H2,(H,14,15)
InChIKeyPZNZKQDJXMHRPL-UHFFFAOYSA-N
MW221.13 g/mol
LogP0.95
Rot. Bonds2

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

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid (PubChem CID 702585) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
PubChem CID702585
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)5-1-2-6(13)12(3-5)4-7(14)15/h1-3H,4H2,(H,14,15)
InChIKeyPZNZKQDJXMHRPL-UHFFFAOYSA-N
XLogP0.95
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072409
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 7802597
2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione
CID 71847357
1-(2-bromoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279616
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2105680
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylphenyl)acetamide
CID 2477086
(1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 42901397
N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39613963
N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110886586
1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one
CID 38846288

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid (CID 702585) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid is O=C(O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The InChIKey is PZNZKQDJXMHRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-8(10,11)5-1-2-6(13)12(3-5)4-7(14)15/h1-3H,4H2,(H,14,15).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid has a molecular weight of 221.13 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 702585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).