potassium 3-(trifluoromethyl)-2H-pyridin-2-ide

C6H3F3KN — CID 135082422

IUPACpotassium 3-(trifluoromethyl)-2H-pyridin-2-ide
SMILESFC(F)(F)c1[c-]nccc1.[K+]
InChIInChI=1S/C6H3F3N.K/c7-6(8,9)5-2-1-3-10-4-5;/h1-3H;/q-1;+1
InChIKeyYSHKEMGQOAAEDP-UHFFFAOYSA-N
MW185.19 g/mol
LogP-1.10
Rot. Bonds

About potassium 3-(trifluoromethyl)-2H-pyridin-2-ide

potassium 3-(trifluoromethyl)-2H-pyridin-2-ide (PubChem CID 135082422) has the molecular formula C6H3F3KN and a molecular weight of 185.19 g/mol. Its IUPAC name is potassium 3-(trifluoromethyl)-2H-pyridin-2-ide.

Molecular Properties

Compound Namepotassium 3-(trifluoromethyl)-2H-pyridin-2-ide
PubChem CID135082422
Molecular FormulaC6H3F3KN
Molecular Weight185.19 g/mol
Exact Mass184.99
IUPAC Namepotassium 3-(trifluoromethyl)-2H-pyridin-2-ide
SMILESFC(F)(F)c1[c-]nccc1.[K+]
InChIInChI=1S/C6H3F3N.K/c7-6(8,9)5-2-1-3-10-4-5;/h1-3H;/q-1;+1
InChIKeyYSHKEMGQOAAEDP-UHFFFAOYSA-N
XLogP-1.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 3-(trifluoromethyl)-2H-pyridin-2-ide?
The IUPAC name of potassium 3-(trifluoromethyl)-2H-pyridin-2-ide (CID 135082422) is potassium 3-(trifluoromethyl)-2H-pyridin-2-ide.
What is the SMILES notation for potassium 3-(trifluoromethyl)-2H-pyridin-2-ide?
The canonical SMILES for potassium 3-(trifluoromethyl)-2H-pyridin-2-ide is FC(F)(F)c1[c-]nccc1.[K+].
What is the InChIKey of potassium 3-(trifluoromethyl)-2H-pyridin-2-ide?
The InChIKey is YSHKEMGQOAAEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N.K/c7-6(8,9)5-2-1-3-10-4-5;/h1-3H;/q-1;+1.
What are the key properties of potassium 3-(trifluoromethyl)-2H-pyridin-2-ide?
potassium 3-(trifluoromethyl)-2H-pyridin-2-ide has a molecular weight of 185.19 g/mol, XLogP of -1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(trifluoromethyl)-2H-pyridin-2-ide is sourced from PubChem (CID 135082422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).