potassium 6-(trifluoromethyl)-1H-pyridin-2-one

C6H4F3KNO+ — CID 18439389

IUPACpotassium 6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)[nH]1.[K+]
InChIInChI=1S/C6H4F3NO.K/c7-6(8,9)4-2-1-3-5(11)10-4;/h1-3H,(H,10,11);/q;+1
InChIKeyQXNGFTOHAFDVQK-UHFFFAOYSA-N
MW202.20 g/mol
LogP-1.60
Rot. Bonds

About potassium 6-(trifluoromethyl)-1H-pyridin-2-one

potassium 6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 18439389) has the molecular formula C6H4F3KNO+ and a molecular weight of 202.20 g/mol. Its IUPAC name is potassium 6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Namepotassium 6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID18439389
Molecular FormulaC6H4F3KNO+
Molecular Weight202.20 g/mol
Exact Mass201.99
IUPAC Namepotassium 6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)[nH]1.[K+]
InChIInChI=1S/C6H4F3NO.K/c7-6(8,9)4-2-1-3-5(11)10-4;/h1-3H,(H,10,11);/q;+1
InChIKeyQXNGFTOHAFDVQK-UHFFFAOYSA-N
XLogP-1.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of potassium 6-(trifluoromethyl)-1H-pyridin-2-one (CID 18439389) is potassium 6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for potassium 6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for potassium 6-(trifluoromethyl)-1H-pyridin-2-one is O=c1cccc(C(F)(F)F)[nH]1.[K+].
What is the InChIKey of potassium 6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QXNGFTOHAFDVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO.K/c7-6(8,9)4-2-1-3-5(11)10-4;/h1-3H,(H,10,11);/q;+1.
What are the key properties of potassium 6-(trifluoromethyl)-1H-pyridin-2-one?
potassium 6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 202.20 g/mol, XLogP of -1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 18439389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).