potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate

C8H5F3KNO2 — CID 135392885

IUPACpotassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate
SMILESO=C([O-])Cc1ncccc1C(F)(F)F.[K+]
InChIInChI=1S/C8H6F3NO2.K/c9-8(10,11)5-2-1-3-12-6(5)4-7(13)14;/h1-3H,4H2,(H,13,14);/q;+1/p-1
InChIKeyUKBNTDUZUQVXKV-UHFFFAOYSA-M
MW243.22 g/mol
LogP-2.60
Rot. Bonds2

About potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate

potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 135392885) has the molecular formula C8H5F3KNO2 and a molecular weight of 243.22 g/mol. Its IUPAC name is potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namepotassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID135392885
Molecular FormulaC8H5F3KNO2
Molecular Weight243.22 g/mol
Exact Mass242.99
IUPAC Namepotassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate
SMILESO=C([O-])Cc1ncccc1C(F)(F)F.[K+]
InChIInChI=1S/C8H6F3NO2.K/c9-8(10,11)5-2-1-3-12-6(5)4-7(13)14;/h1-3H,4H2,(H,13,14);/q;+1/p-1
InChIKeyUKBNTDUZUQVXKV-UHFFFAOYSA-M
XLogP-2.60
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate (CID 135392885) is potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate is O=C([O-])Cc1ncccc1C(F)(F)F.[K+].
What is the InChIKey of potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is UKBNTDUZUQVXKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6F3NO2.K/c9-8(10,11)5-2-1-3-12-6(5)4-7(13)14;/h1-3H,4H2,(H,13,14);/q;+1/p-1.
What are the key properties of potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate?
potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 243.22 g/mol, XLogP of -2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[3-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 135392885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).