[6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid

C11H9BF3NO2 — CID 75486024

IUPAC[6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid
SMILESCc1ccc2nc(C(F)(F)F)cc(B(O)O)c2c1
InChIInChI=1S/C11H9BF3NO2/c1-6-2-3-9-7(4-6)8(12(17)18)5-10(16-9)11(13,14)15/h2-5,17-18H,1H3
InChIKeyRCYBUGAHTLJORX-UHFFFAOYSA-N
MW255.00 g/mol
LogP1.24
Rot. Bonds1

About [6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid

[6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid (PubChem CID 75486024) has the molecular formula C11H9BF3NO2 and a molecular weight of 255.00 g/mol. Its IUPAC name is [6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid.

Molecular Properties

Compound Name[6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid
PubChem CID75486024
Molecular FormulaC11H9BF3NO2
Molecular Weight255.00 g/mol
Exact Mass255.07
IUPAC Name[6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid
SMILESCc1ccc2nc(C(F)(F)F)cc(B(O)O)c2c1
InChIInChI=1S/C11H9BF3NO2/c1-6-2-3-9-7(4-6)8(12(17)18)5-10(16-9)11(13,14)15/h2-5,17-18H,1H3
InChIKeyRCYBUGAHTLJORX-UHFFFAOYSA-N
XLogP1.24
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.00
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225
7-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 24947251
7-methyl-4-phenyl-2-(trifluoromethyl)quinoline
CID 15213749
3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide
CID 142268929
2-tert-butyl-7-methylquinoline-4-carboxylic acid
CID 82184128
4,6-dimethylquinazoline-2-carboxylic acid
CID 84776717
2-tert-butyl-6-methylquinolin-4-amine
CID 62202003
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135786425
7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 71385990
6-ethenyl-4-methyl-2-(trifluoromethyl)quinoline
CID 170249314
4-amino-2-(trifluoromethyl)quinolin-6-ol
CID 170250530

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid?
The IUPAC name of [6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid (CID 75486024) is [6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid.
What is the SMILES notation for [6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid?
The canonical SMILES for [6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid is Cc1ccc2nc(C(F)(F)F)cc(B(O)O)c2c1.
What is the InChIKey of [6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid?
The InChIKey is RCYBUGAHTLJORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BF3NO2/c1-6-2-3-9-7(4-6)8(12(17)18)5-10(16-9)11(13,14)15/h2-5,17-18H,1H3.
What are the key properties of [6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid?
[6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid has a molecular weight of 255.00 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(trifluoromethyl)quinolin-4-yl]boronic acid is sourced from PubChem (CID 75486024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).