potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide

C8H9BF3KN2O2 — CID 106746483

IUPACpotassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1nc(OC)ccc1=O)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H9BF3N2O2.K/c1-6(9(10,11)12)5-14-8(15)4-3-7(13-14)16-2;/h3-4H,1,5H2,2H3;/q-1;+1
InChIKeyABIQFULJWAMWOI-UHFFFAOYSA-N
MW272.08 g/mol
LogP-1.80
Rot. Bonds4

About potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide

potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746483) has the molecular formula C8H9BF3KN2O2 and a molecular weight of 272.08 g/mol. Its IUPAC name is potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106746483
Molecular FormulaC8H9BF3KN2O2
Molecular Weight272.08 g/mol
Exact Mass272.03
IUPAC Namepotassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1nc(OC)ccc1=O)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H9BF3N2O2.K/c1-6(9(10,11)12)5-14-8(15)4-3-7(13-14)16-2;/h3-4H,1,5H2,2H3;/q-1;+1
InChIKeyABIQFULJWAMWOI-UHFFFAOYSA-N
XLogP-1.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 5-1.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide (CID 106746483) is potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide is C=C(Cn1nc(OC)ccc1=O)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is ABIQFULJWAMWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BF3N2O2.K/c1-6(9(10,11)12)5-14-8(15)4-3-7(13-14)16-2;/h3-4H,1,5H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 272.08 g/mol, XLogP of -1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).