Home > Compound List > Compound details
1060810-68-5 molecular structure
click picture or here to close

4-bromo-6-(trifluoromethyl)pyridine-2-carboxylic acid

ChemBase ID: 798879
Molecular Formular: C7H3BrF3NO2
Molecular Mass: 270.0034296
Monoisotopic Mass: 268.929925
SMILES and InChIs

SMILES:
OC(=O)c1cc(cc(n1)C(F)(F)F)Br
Canonical SMILES:
Brc1cc(nc(c1)C(F)(F)F)C(=O)O
InChI:
InChI=1S/C7H3BrF3NO2/c8-3-1-4(6(13)14)12-5(2-3)7(9,10)11/h1-2H,(H,13,14)
InChIKey:
OYRSVVDCWKNPHQ-UHFFFAOYSA-N

Cite this record

CBID:798879 http://www.chembase.cn/molecule-798879.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-6-(trifluoromethyl)pyridine-2-carboxylic acid
IUPAC Traditional name
4-bromo-6-(trifluoromethyl)pyridine-2-carboxylic acid
Synonyms
4-bromo-6-(trifluoromethyl)picolinic acid

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.544729  H Acceptors
H Donor LogD (pH = 5.5) 0.88232523 
LogD (pH = 7.4) -0.53024507  Log P 2.831458 
Molar Refractivity 44.0098 cm3 Polarizability 16.537487 Å3
Polar Surface Area 50.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
98% 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