potassium (5-cyano-3-pyridinyl)-trifluoroboranuide

C6H3BF3KN2 — CID 57416942

IUPACpotassium (5-cyano-3-pyridinyl)-trifluoroboranuide
SMILESN#Cc1cncc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C6H3BF3N2.K/c8-7(9,10)6-1-5(2-11)3-12-4-6;/h1,3-4H;/q-1;+1
InChIKeyDNFZGSHTQHCKAY-UHFFFAOYSA-N
MW210.01 g/mol
LogP-1.99
Rot. Bonds1

About potassium (5-cyano-3-pyridinyl)-trifluoroboranuide

potassium (5-cyano-3-pyridinyl)-trifluoroboranuide (PubChem CID 57416942) has the molecular formula C6H3BF3KN2 and a molecular weight of 210.01 g/mol. Its IUPAC name is potassium (5-cyano-3-pyridinyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (5-cyano-3-pyridinyl)-trifluoroboranuide
PubChem CID57416942
Molecular FormulaC6H3BF3KN2
Molecular Weight210.01 g/mol
Exact Mass210.00
IUPAC Namepotassium (5-cyano-3-pyridinyl)-trifluoroboranuide
SMILESN#Cc1cncc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C6H3BF3N2.K/c8-7(9,10)6-1-5(2-11)3-12-4-6;/h1,3-4H;/q-1;+1
InChIKeyDNFZGSHTQHCKAY-UHFFFAOYSA-N
XLogP-1.99
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.01
LogP ≤ 5-1.99
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

3-Cyanopyridine
CID 79
4-Cyanopyridine
CID 7506
2-(3-Pyridinylmethylene)propanedinitrile
CID 23905
3,5-Dimethylpyridine
CID 11565
3-Pyridineacetonitrile
CID 80923
2-(4-Pyridinylmethylene)propanedinitrile
CID 44390
Nicotinonitrile 1-oxide
CID 84686
4-Methyl-3-cyanopyridine
CID 227806
6-Methylpyridine-3-carbonitrile
CID 281995
5-Methylnicotinonitrile
CID 637838
5-Bromonicotinonitrile
CID 736793
Pyridine-3,4-dicarbonitrile
CID 74211

Frequently Asked Questions

What is the IUPAC name of potassium (5-cyano-3-pyridinyl)-trifluoroboranuide?
The IUPAC name of potassium (5-cyano-3-pyridinyl)-trifluoroboranuide (CID 57416942) is potassium (5-cyano-3-pyridinyl)-trifluoroboranuide.
What is the SMILES notation for potassium (5-cyano-3-pyridinyl)-trifluoroboranuide?
The canonical SMILES for potassium (5-cyano-3-pyridinyl)-trifluoroboranuide is N#Cc1cncc([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium (5-cyano-3-pyridinyl)-trifluoroboranuide?
The InChIKey is DNFZGSHTQHCKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BF3N2.K/c8-7(9,10)6-1-5(2-11)3-12-4-6;/h1,3-4H;/q-1;+1.
What are the key properties of potassium (5-cyano-3-pyridinyl)-trifluoroboranuide?
potassium (5-cyano-3-pyridinyl)-trifluoroboranuide has a molecular weight of 210.01 g/mol, XLogP of -1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (5-cyano-3-pyridinyl)-trifluoroboranuide is sourced from PubChem (CID 57416942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).