potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide

C7H8BF3KNO — CID 63704180

IUPACpotassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide
SMILESCc1ccc(OC[B-](F)(F)F)cn1.[K+]
InChIInChI=1S/C7H8BF3NO.K/c1-6-2-3-7(4-12-6)13-5-8(9,10)11;/h2-4H,5H2,1H3;/q-1;+1
InChIKeyHVHDEFURBNNCIA-UHFFFAOYSA-N
MW229.05 g/mol
LogP-0.84
Rot. Bonds3

About potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide

potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide (PubChem CID 63704180) has the molecular formula C7H8BF3KNO and a molecular weight of 229.05 g/mol. Its IUPAC name is potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide
PubChem CID63704180
Molecular FormulaC7H8BF3KNO
Molecular Weight229.05 g/mol
Exact Mass229.03
IUPAC Namepotassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide
SMILESCc1ccc(OC[B-](F)(F)F)cn1.[K+]
InChIInChI=1S/C7H8BF3NO.K/c1-6-2-3-7(4-12-6)13-5-8(9,10)11;/h2-4H,5H2,1H3;/q-1;+1
InChIKeyHVHDEFURBNNCIA-UHFFFAOYSA-N
XLogP-0.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 5-0.84
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-[(6-methyl-3-pyridinyl)oxymethyl]boranuide?
The IUPAC name of potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide (CID 63704180) is potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide?
The canonical SMILES for potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide is Cc1ccc(OC[B-](F)(F)F)cn1.[K+].
What is the InChIKey of potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide?
The InChIKey is HVHDEFURBNNCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BF3NO.K/c1-6-2-3-7(4-12-6)13-5-8(9,10)11;/h2-4H,5H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide?
potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide has a molecular weight of 229.05 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide is sourced from PubChem (CID 63704180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).