Home > Compound List > Compound details
1098173-30-8 molecular structure
click picture or here to close

potassium trifluoro(2-fluoro-6-methylpyridin-3-yl)boranuide

ChemBase ID: 98009
Molecular Formular: C6H5BF4KN
Molecular Mass: 217.0135128
Monoisotopic Mass: 217.00882413
SMILES and InChIs

SMILES:
n1c(c(ccc1C)[B-](F)(F)F)F.[K+]
Canonical SMILES:
F[B-](c1ccc(nc1F)C)(F)F.[K+]
InChI:
InChI=1S/C6H5BF4N.K/c1-4-2-3-5(6(8)12-4)7(9,10)11;/h2-3H,1H3;/q-1;+1
InChIKey:
CPXSPYVBUBFSAJ-UHFFFAOYSA-N

Cite this record

CBID:98009 http://www.chembase.cn/molecule-98009.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium trifluoro(2-fluoro-6-methylpyridin-3-yl)boranuide
IUPAC Traditional name
potassium ion trifluoro(2-fluoro-6-methylpyridin-3-yl)boranuide
Synonyms
Potassium 2-fluoro-6-methylpyridine-3-trifluoroborate
CAS Number
1098173-30-8
PubChem SID
162084482
PubChem CID
46739275

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC50071 external link Add to cart Please log in.
Data Source Data ID
PubChem 46739275 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5850992  LogD (pH = 7.4) 1.5850999 
Log P 1.5851  Molar Refractivity 33.6439 cm3
Polarizability 12.734307 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle