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

C8H5ClF3NO3 — CID 2463145

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C8H5ClF3NO3/c9-5-1-4(8(10,11)12)2-13(7(5)16)3-6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyDMFPEEFRMXLMLJ-UHFFFAOYSA-N
MW255.58 g/mol
LogP1.61
Rot. Bonds2

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid (PubChem CID 2463145) has the molecular formula C8H5ClF3NO3 and a molecular weight of 255.58 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
PubChem CID2463145
Molecular FormulaC8H5ClF3NO3
Molecular Weight255.58 g/mol
Exact Mass254.99
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C8H5ClF3NO3/c9-5-1-4(8(10,11)12)2-13(7(5)16)3-6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyDMFPEEFRMXLMLJ-UHFFFAOYSA-N
XLogP1.61
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.58
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl)acetic acid
CID 702585
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 3611941
5-Chloro-6-oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-3-carboxylic acid
CID 118111515
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
2-[2-Oxo-3,5-bis(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458865
2-[5-Chloro-3-(difluoromethyl)-2-oxopyridin-1-yl]acetic acid
CID 142458866
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid (CID 2463145) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid is O=C(O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The InChIKey is DMFPEEFRMXLMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO3/c9-5-1-4(8(10,11)12)2-13(7(5)16)3-6(14)15/h1-2H,3H2,(H,14,15).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid has a molecular weight of 255.58 g/mol, XLogP of 1.61, 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]acetic acid is sourced from PubChem (CID 2463145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).