potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide

C8H8BF3KNO — CID 106746313

IUPACpotassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1ccccc1=O)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H8BF3NO.K/c1-7(9(10,11)12)6-13-5-3-2-4-8(13)14;/h2-5H,1,6H2;/q-1;+1
InChIKeyBXNGOFGPLJZIDL-UHFFFAOYSA-N
MW241.06 g/mol
LogP-1.20
Rot. Bonds3

About potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide

potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide (PubChem CID 106746313) has the molecular formula C8H8BF3KNO and a molecular weight of 241.06 g/mol. Its IUPAC name is potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide
PubChem CID106746313
Molecular FormulaC8H8BF3KNO
Molecular Weight241.06 g/mol
Exact Mass241.03
IUPAC Namepotassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1ccccc1=O)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H8BF3NO.K/c1-7(9(10,11)12)6-13-5-3-2-4-8(13)14;/h2-5H,1,6H2;/q-1;+1
InChIKeyBXNGOFGPLJZIDL-UHFFFAOYSA-N
XLogP-1.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide (CID 106746313) is potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide is C=C(Cn1ccccc1=O)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide?
The InChIKey is BXNGOFGPLJZIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BF3NO.K/c1-7(9(10,11)12)6-13-5-3-2-4-8(13)14;/h2-5H,1,6H2;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide has a molecular weight of 241.06 g/mol, XLogP of -1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).