potassium (1-ethylindazol-5-yl)-trifluoroboranuide

C9H9BF3KN2 — CID 166000493

IUPACpotassium (1-ethylindazol-5-yl)-trifluoroboranuide
SMILESCCn1ncc2cc([B-](F)(F)F)ccc21.[K+]
InChIInChI=1S/C9H9BF3N2.K/c1-2-15-9-4-3-8(10(11,12)13)5-7(9)6-14-15;/h3-6H,2H2,1H3;/q-1;+1
InChIKeyONMOECMXDNPPIO-UHFFFAOYSA-N
MW252.09 g/mol
LogP-0.89
Rot. Bonds2

About potassium (1-ethylindazol-5-yl)-trifluoroboranuide

potassium (1-ethylindazol-5-yl)-trifluoroboranuide (PubChem CID 166000493) has the molecular formula C9H9BF3KN2 and a molecular weight of 252.09 g/mol. Its IUPAC name is potassium (1-ethylindazol-5-yl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (1-ethylindazol-5-yl)-trifluoroboranuide
PubChem CID166000493
Molecular FormulaC9H9BF3KN2
Molecular Weight252.09 g/mol
Exact Mass252.04
IUPAC Namepotassium (1-ethylindazol-5-yl)-trifluoroboranuide
SMILESCCn1ncc2cc([B-](F)(F)F)ccc21.[K+]
InChIInChI=1S/C9H9BF3N2.K/c1-2-15-9-4-3-8(10(11,12)13)5-7(9)6-14-15;/h3-6H,2H2,1H3;/q-1;+1
InChIKeyONMOECMXDNPPIO-UHFFFAOYSA-N
XLogP-0.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium (1-ethylindazol-5-yl)-trifluoroboranuide?
The IUPAC name of potassium (1-ethylindazol-5-yl)-trifluoroboranuide (CID 166000493) is potassium (1-ethylindazol-5-yl)-trifluoroboranuide.
What is the SMILES notation for potassium (1-ethylindazol-5-yl)-trifluoroboranuide?
The canonical SMILES for potassium (1-ethylindazol-5-yl)-trifluoroboranuide is CCn1ncc2cc([B-](F)(F)F)ccc21.[K+].
What is the InChIKey of potassium (1-ethylindazol-5-yl)-trifluoroboranuide?
The InChIKey is ONMOECMXDNPPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BF3N2.K/c1-2-15-9-4-3-8(10(11,12)13)5-7(9)6-14-15;/h3-6H,2H2,1H3;/q-1;+1.
What are the key properties of potassium (1-ethylindazol-5-yl)-trifluoroboranuide?
potassium (1-ethylindazol-5-yl)-trifluoroboranuide has a molecular weight of 252.09 g/mol, XLogP of -0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1-ethylindazol-5-yl)-trifluoroboranuide is sourced from PubChem (CID 166000493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).