[6-(trifluoromethyl)-3-pyridinyl]boronic acid

C6H5BF3NO2 — CID 25134278

IUPAC[6-(trifluoromethyl)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H
InChIKeyBNTIPMNMTIAWIW-UHFFFAOYSA-N
MW190.92 g/mol
LogP-0.22
Rot. Bonds1

About [6-(trifluoromethyl)-3-pyridinyl]boronic acid

[6-(trifluoromethyl)-3-pyridinyl]boronic acid (PubChem CID 25134278) has the molecular formula C6H5BF3NO2 and a molecular weight of 190.92 g/mol. Its IUPAC name is [6-(trifluoromethyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(trifluoromethyl)-3-pyridinyl]boronic acid
PubChem CID25134278
Molecular FormulaC6H5BF3NO2
Molecular Weight190.92 g/mol
Exact Mass191.04
IUPAC Name[6-(trifluoromethyl)-3-pyridinyl]boronic acid
SMILESOB(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H
InChIKeyBNTIPMNMTIAWIW-UHFFFAOYSA-N
XLogP-0.22
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.92
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [6-(trifluoromethyl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(trifluoromethyl)-3-pyridinyl]boronic acid (CID 25134278) is [6-(trifluoromethyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(trifluoromethyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(trifluoromethyl)-3-pyridinyl]boronic acid is OB(O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [6-(trifluoromethyl)-3-pyridinyl]boronic acid?
The InChIKey is BNTIPMNMTIAWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H.
What are the key properties of [6-(trifluoromethyl)-3-pyridinyl]boronic acid?
[6-(trifluoromethyl)-3-pyridinyl]boronic acid has a molecular weight of 190.92 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 25134278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).