potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide

C7H5BF6KNO — CID 63703622

IUPACpotassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide
SMILESO=c1ccc(C(F)(F)F)cn1C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H5BF6NO.K/c9-7(10,11)5-1-2-6(16)15(3-5)4-8(12,13)14;/h1-3H,4H2;/q-1;+1
InChIKeyPXPHGCZEZVDXHH-UHFFFAOYSA-N
MW283.02 g/mol
LogP-0.74
Rot. Bonds2

About potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide

potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide (PubChem CID 63703622) has the molecular formula C7H5BF6KNO and a molecular weight of 283.02 g/mol. Its IUPAC name is potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide
PubChem CID63703622
Molecular FormulaC7H5BF6KNO
Molecular Weight283.02 g/mol
Exact Mass283.00
IUPAC Namepotassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide
SMILESO=c1ccc(C(F)(F)F)cn1C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H5BF6NO.K/c9-7(10,11)5-1-2-6(16)15(3-5)4-8(12,13)14;/h1-3H,4H2;/q-1;+1
InChIKeyPXPHGCZEZVDXHH-UHFFFAOYSA-N
XLogP-0.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.02
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279616
1-(3-bromopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279615
1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one
CID 60643629
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
methyl 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate
CID 1486027
1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279700
1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072409
1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 60585635
methyl 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoate
CID 55026654
1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279911
1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63280381
methyl 2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate
CID 4558015

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide (CID 63703622) is potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide is O=c1ccc(C(F)(F)F)cn1C[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide?
The InChIKey is PXPHGCZEZVDXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF6NO.K/c9-7(10,11)5-1-2-6(16)15(3-5)4-8(12,13)14;/h1-3H,4H2;/q-1;+1.
What are the key properties of potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide?
potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide has a molecular weight of 283.02 g/mol, XLogP of -0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide is sourced from PubChem (CID 63703622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).