potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide

C14H14BF3KNO — CID 79263387

IUPACpotassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
SMILESCc1ccc(OCc2cccc(C)n2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C14H14BF3NO.K/c1-10-6-7-14(13(8-10)15(16,17)18)20-9-12-5-3-4-11(2)19-12;/h3-8H,9H2,1-2H3;/q-1;+1
InChIKeyYNAMDLUFBMGBTA-UHFFFAOYSA-N
MW319.18 g/mol
LogP0.34
Rot. Bonds4

About potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide

potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide (PubChem CID 79263387) has the molecular formula C14H14BF3KNO and a molecular weight of 319.18 g/mol. Its IUPAC name is potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
PubChem CID79263387
Molecular FormulaC14H14BF3KNO
Molecular Weight319.18 g/mol
Exact Mass319.08
IUPAC Namepotassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
SMILESCc1ccc(OCc2cccc(C)n2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C14H14BF3NO.K/c1-10-6-7-14(13(8-10)15(16,17)18)20-9-12-5-3-4-11(2)19-12;/h3-8H,9H2,1-2H3;/q-1;+1
InChIKeyYNAMDLUFBMGBTA-UHFFFAOYSA-N
XLogP0.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
CID 79260684
potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 114674951
1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267704
(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 79267455
potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
CID 63678321
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
[2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 65369939
2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane
CID 170747048
potassium trifluoro-[5-methyl-2-(3-methylbutoxy)phenyl]boranuide
CID 63676021
potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 63676819
N-ethyl-1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79262667
N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide (CID 79263387) is potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide is Cc1ccc(OCc2cccc(C)n2)c([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The InChIKey is YNAMDLUFBMGBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BF3NO.K/c1-10-6-7-14(13(8-10)15(16,17)18)20-9-12-5-3-4-11(2)19-12;/h3-8H,9H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide has a molecular weight of 319.18 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 79263387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).