potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide

C13H10BF3KN — CID 142713848

IUPACpotassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide
SMILESF[B-](F)(F)c1cncc(/C=C/c2ccccc2)c1.[K+]
InChIInChI=1S/C13H10BF3N.K/c15-14(16,17)13-8-12(9-18-10-13)7-6-11-4-2-1-3-5-11;/h1-10H;/q-1;+1/b7-6+;
InChIKeyVVENNGOQMFXFLW-UHDJGPCESA-N
MW287.13 g/mol
LogP0.31
Rot. Bonds3

About potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide

potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide (PubChem CID 142713848) has the molecular formula C13H10BF3KN and a molecular weight of 287.13 g/mol. Its IUPAC name is potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide
PubChem CID142713848
Molecular FormulaC13H10BF3KN
Molecular Weight287.13 g/mol
Exact Mass287.05
IUPAC Namepotassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide
SMILESF[B-](F)(F)c1cncc(/C=C/c2ccccc2)c1.[K+]
InChIInChI=1S/C13H10BF3N.K/c15-14(16,17)13-8-12(9-18-10-13)7-6-11-4-2-1-3-5-11;/h1-10H;/q-1;+1/b7-6+;
InChIKeyVVENNGOQMFXFLW-UHDJGPCESA-N
XLogP0.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 50.31
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

disodium;hydride;(E)-stilbene
CID 173089328
potassium trifluoro-[(Z)-2-phenylethenyl]boranuide
CID 23671305
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-[(E)-2-phenylethenyl]azulene
CID 12674002
trifluoro-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]boranuide
CID 102401162
3-methyl-5-[(E)-2-phenylethenyl]pyridin-2-amine
CID 50968857
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
hydride;rubidium(1+);stilbene
CID 173437843
potassium trifluoro-[4-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016979
2,6-diphenyl-4-[(E)-2-phenylethenyl]pyridine
CID 164669085
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide?
The IUPAC name of potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide (CID 142713848) is potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide.
What is the SMILES notation for potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide?
The canonical SMILES for potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide is F[B-](F)(F)c1cncc(/C=C/c2ccccc2)c1.[K+].
What is the InChIKey of potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide?
The InChIKey is VVENNGOQMFXFLW-UHDJGPCESA-N. The full InChI is InChI=1S/C13H10BF3N.K/c15-14(16,17)13-8-12(9-18-10-13)7-6-11-4-2-1-3-5-11;/h1-10H;/q-1;+1/b7-6+;.
What are the key properties of potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide?
potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide has a molecular weight of 287.13 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[5-[(E)-2-phenylethenyl]-3-pyridinyl]boranuide is sourced from PubChem (CID 142713848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).