potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide

C11H8BF3KN — CID 135004117

IUPACpotassium trifluoro-(5-phenyl-3-pyridinyl)boranuide
SMILESF[B-](F)(F)c1cncc(-c2ccccc2)c1.[K+]
InChIInChI=1S/C11H8BF3N.K/c13-12(14,15)11-6-10(7-16-8-11)9-4-2-1-3-5-9;/h1-8H;/q-1;+1
InChIKeyNGKNXSSOIVTYOA-UHFFFAOYSA-N
MW261.10 g/mol
LogP-0.19
Rot. Bonds2

About potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide

potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide (PubChem CID 135004117) has the molecular formula C11H8BF3KN and a molecular weight of 261.10 g/mol. Its IUPAC name is potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(5-phenyl-3-pyridinyl)boranuide
PubChem CID135004117
Molecular FormulaC11H8BF3KN
Molecular Weight261.10 g/mol
Exact Mass261.03
IUPAC Namepotassium trifluoro-(5-phenyl-3-pyridinyl)boranuide
SMILESF[B-](F)(F)c1cncc(-c2ccccc2)c1.[K+]
InChIInChI=1S/C11H8BF3N.K/c13-12(14,15)11-6-10(7-16-8-11)9-4-2-1-3-5-9;/h1-8H;/q-1;+1
InChIKeyNGKNXSSOIVTYOA-UHFFFAOYSA-N
XLogP-0.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide
CID 142713848
5-phenylpyridin-3-ol
CID 2762902
3-phenyl-5-[10-(5-phenyl-3-pyridinyl)anthracen-9-yl]pyridine
CID 88908908
5-phenyl-N-(5-phenyl-3-pyridinyl)pyridin-3-amine
CID 146533965
3-phenyl-5-(1H-pyrazol-5-yl)pyridine
CID 90751414
(5-phenyl-3-pyridinyl)borinic acid
CID 143745833
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
CID 67366174
CID 67366174
(1S)-1-(5-phenyl-3-pyridinyl)ethanamine
CID 96702221
3-(3,5-diphenylphenyl)pyridine
CID 141411458
2-phenyl-3-(5-phenyl-3-pyridinyl)quinoline
CID 69016440
[5-(3-phenylphenyl)-3-pyridinyl]boronic acid
CID 141281758

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide?
The IUPAC name of potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide (CID 135004117) is potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide.
What is the SMILES notation for potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide?
The canonical SMILES for potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide is F[B-](F)(F)c1cncc(-c2ccccc2)c1.[K+].
What is the InChIKey of potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide?
The InChIKey is NGKNXSSOIVTYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BF3N.K/c13-12(14,15)11-6-10(7-16-8-11)9-4-2-1-3-5-9;/h1-8H;/q-1;+1.
What are the key properties of potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide?
potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide has a molecular weight of 261.10 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide is sourced from PubChem (CID 135004117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).