potassium trifluoro(5-methoxypyridin-2-yl)boranuide

• ChemBase ID: 295131
• Molecular Formular: C6H6BF3KNO
• Molecular Mass: 215.0224496
• Monoisotopic Mass: 215.01316056
• SMILES: [B-](c1ccc(cn1)OC)(F)(F)F.[K+]
• Canonical SMILES: COc1ccc(nc1)[B-](F)(F)F.[K+]
• InChI: InChI=1S/C6H6BF3NO.K/c1-12-5-2-3-6(11-4-5)7(8,9)10;/h2-4H,1H3;/q-1;+1
• InChIKey: LSLJGGPCKFUUQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoro(5-methoxypyridin-2-yl)boranuide
• IUPAC Traditional name: potassium trifluoro(5-methoxypyridin-2-yl)boranuide
• Synonyms: Potassium 5-methoxypyridine-2-trifluoroborate; 5-甲氧基吡啶-2-三氟硼酸钾

Database IDs

• MDL Number: MFCD09993103
• PubChem SID: 180680662
• PubChem CID: 73995001

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1878403
• LogD (pH = 7.4): 1.2626547
• Log P: 1.2637
• Molar Refractivity: 34.598 cm^3
• Polarizability: 13.669382 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A