trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide

C6H7BF3N2O2- — CID 105062250

IUPACtrifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide
SMILESCOc1ccc(=O)n(C[B-](F)(F)F)n1
InChIInChI=1S/C6H7BF3N2O2/c1-14-5-2-3-6(13)12(11-5)4-7(8,9)10/h2-3H,4H2,1H3/q-1
InChIKeySFEGHLJDODWIOU-UHFFFAOYSA-N
MW206.94 g/mol
LogP0.64
Rot. Bonds3

About trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide

trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide (PubChem CID 105062250) has the molecular formula C6H7BF3N2O2- and a molecular weight of 206.94 g/mol. Its IUPAC name is trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide
PubChem CID105062250
Molecular FormulaC6H7BF3N2O2-
Molecular Weight206.94 g/mol
Exact Mass207.06
IUPAC Nametrifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide
SMILESCOc1ccc(=O)n(C[B-](F)(F)F)n1
InChIInChI=1S/C6H7BF3N2O2/c1-14-5-2-3-6(13)12(11-5)4-7(8,9)10/h2-3H,4H2,1H3/q-1
InChIKeySFEGHLJDODWIOU-UHFFFAOYSA-N
XLogP0.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.94
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-methoxy-6-pyridazone
CID 96429
Trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746484
6-(2,2-Difluoroethoxy)-2-methyl-2,3-dihydropyridazin-3-one
CID 126954661
2-(2,2-Difluoroethyl)-6-methoxypyridazin-3-one
CID 130627801
Potassium trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide
CID 105062249
Potassium trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746483
6-Methoxy-2-(methoxymethyl)pyridazin-3-one
CID 131153895

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide (CID 105062250) is trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide is COc1ccc(=O)n(C[B-](F)(F)F)n1.
What is the InChIKey of trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide?
The InChIKey is SFEGHLJDODWIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BF3N2O2/c1-14-5-2-3-6(13)12(11-5)4-7(8,9)10/h2-3H,4H2,1H3/q-1.
What are the key properties of trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide?
trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide has a molecular weight of 206.94 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide is sourced from PubChem (CID 105062250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).