potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide

C11H15BF3KN2O2 — CID 79182858

IUPACpotassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide
SMILESCN1CCOC(COc2cncc([B-](F)(F)F)c2)C1.[K+]
InChIInChI=1S/C11H15BF3N2O2.K/c1-17-2-3-18-11(7-17)8-19-10-4-9(5-16-6-10)12(13,14)15;/h4-6,11H,2-3,7-8H2,1H3;/q-1;+1
InChIKeyUBTQVDSDBCDDRS-UHFFFAOYSA-N
MW314.16 g/mol
LogP-2.15
Rot. Bonds4

About potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide

potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide (PubChem CID 79182858) has the molecular formula C11H15BF3KN2O2 and a molecular weight of 314.16 g/mol. Its IUPAC name is potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide
PubChem CID79182858
Molecular FormulaC11H15BF3KN2O2
Molecular Weight314.16 g/mol
Exact Mass314.08
IUPAC Namepotassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide
SMILESCN1CCOC(COc2cncc([B-](F)(F)F)c2)C1.[K+]
InChIInChI=1S/C11H15BF3N2O2.K/c1-17-2-3-18-11(7-17)8-19-10-4-9(5-16-6-10)12(13,14)15;/h4-6,11H,2-3,7-8H2,1H3;/q-1;+1
InChIKeyUBTQVDSDBCDDRS-UHFFFAOYSA-N
XLogP-2.15
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 5-2.15
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-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide?
The IUPAC name of potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide (CID 79182858) is potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide.
What is the SMILES notation for potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide?
The canonical SMILES for potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide is CN1CCOC(COc2cncc([B-](F)(F)F)c2)C1.[K+].
What is the InChIKey of potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide?
The InChIKey is UBTQVDSDBCDDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BF3N2O2.K/c1-17-2-3-18-11(7-17)8-19-10-4-9(5-16-6-10)12(13,14)15;/h4-6,11H,2-3,7-8H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide?
potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide has a molecular weight of 314.16 g/mol, XLogP of -2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide is sourced from PubChem (CID 79182858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).