potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide

C5H3BF4KN — CID 46739285

IUPACpotassium trifluoro-(5-fluoro-2-pyridinyl)boranuide
SMILESFc1ccc([B-](F)(F)F)nc1.[K+]
InChIInChI=1S/C5H3BF4N.K/c7-4-1-2-5(11-3-4)6(8,9)10;/h1-3H;/q-1;+1
InChIKeyDKZSBTOKRWXZOT-UHFFFAOYSA-N
MW202.99 g/mol
LogP-1.72
Rot. Bonds1

About potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide

potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide (PubChem CID 46739285) has the molecular formula C5H3BF4KN and a molecular weight of 202.99 g/mol. Its IUPAC name is potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(5-fluoro-2-pyridinyl)boranuide
PubChem CID46739285
Molecular FormulaC5H3BF4KN
Molecular Weight202.99 g/mol
Exact Mass202.99
IUPAC Namepotassium trifluoro-(5-fluoro-2-pyridinyl)boranuide
SMILESFc1ccc([B-](F)(F)F)nc1.[K+]
InChIInChI=1S/C5H3BF4N.K/c7-4-1-2-5(11-3-4)6(8,9)10;/h1-3H;/q-1;+1
InChIKeyDKZSBTOKRWXZOT-UHFFFAOYSA-N
XLogP-1.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.99
LogP ≤ 5-1.72
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

Pyridine
CID 1049
3-Methylpyridine
CID 7970
4-Vinylpyridine
CID 7502
2-Methylpyridine
CID 7975
2-Vinylpyridine
CID 7521
Pyridine N-Oxide
CID 12753
Pyridine-D5
CID 558519
3-Vinylpyridine
CID 14272
Pyridinium chloride
CID 10176127
1-Ethylpyridinium iodide
CID 12038941
Ethylpyridinium bromide
CID 15927
Pyridinium, 1-methyl-, iodide (1:1)
CID 13596

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide?
The IUPAC name of potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide (CID 46739285) is potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide.
What is the SMILES notation for potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide?
The canonical SMILES for potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide is Fc1ccc([B-](F)(F)F)nc1.[K+].
What is the InChIKey of potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide?
The InChIKey is DKZSBTOKRWXZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BF4N.K/c7-4-1-2-5(11-3-4)6(8,9)10;/h1-3H;/q-1;+1.
What are the key properties of potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide?
potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide has a molecular weight of 202.99 g/mol, XLogP of -1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide is sourced from PubChem (CID 46739285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).