2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

C8H5F3NO3- — CID 3611941

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
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)/p-1
InChIKeyPZNZKQDJXMHRPL-UHFFFAOYSA-M
MW220.13 g/mol
LogP-0.38
Rot. Bonds2

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

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 3611941) has the molecular formula C8H5F3NO3- and a molecular weight of 220.13 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID3611941
Molecular FormulaC8H5F3NO3-
Molecular Weight220.13 g/mol
Exact Mass220.02
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
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)/p-1
InChIKeyPZNZKQDJXMHRPL-UHFFFAOYSA-M
XLogP-0.38
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 1096408
2-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl)acetic acid
CID 702585
[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetic acid
CID 2463145
2-[2-Oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetic acid
CID 17535105
2-[5-(Difluoromethyl)-2-oxo-1,2-dihydropyridin-1-yl]acetic acid
CID 122240432
2-[2-Oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 132372717
2-[5-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 135363600
2-[3-Bromo-5-(difluoromethyl)-2-oxopyridin-1-yl]acetic acid
CID 135363731
2-[3-Chloro-5-(difluoromethyl)-2-oxopyridin-1-yl]acetic acid
CID 135364076
Methyl 2-[2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetate
CID 141123847
2-[2-Oxo-3,5-bis(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458865
2-[3-(Difluoromethyl)-2-oxopyridin-1-yl]acetic acid
CID 142458900

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 3611941) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is O=C([O-])Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is PZNZKQDJXMHRPL-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 220.13 g/mol, XLogP of -0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 3611941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).