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

C8H5ClF3NO3 — CID 56832322

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1ncc(C(F)(F)F)cc1Cl
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)
InChIKeyKSOSHSKOOHNGKW-UHFFFAOYSA-N
MW255.58 g/mol
LogP2.22
Rot. Bonds3

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

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid (PubChem CID 56832322) has the molecular formula C8H5ClF3NO3 and a molecular weight of 255.58 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
PubChem CID56832322
Molecular FormulaC8H5ClF3NO3
Molecular Weight255.58 g/mol
Exact Mass254.99
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1ncc(C(F)(F)F)cc1Cl
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)
InChIKeyKSOSHSKOOHNGKW-UHFFFAOYSA-N
XLogP2.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.58
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid
CID 115572196
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
2-[4-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-nitrophenoxy]phenoxy]acetic acid
CID 19932417
4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethylcarbamoylamino]butanoic acid
CID 122003521
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride
CID 15334422
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-ethylurea
CID 71994502
2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride
CID 119893779
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
CID 142503813

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid (CID 56832322) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid is O=C(O)COc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The InChIKey is KSOSHSKOOHNGKW-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-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid has a molecular weight of 255.58 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 56832322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).