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869640-44-8 molecular structure
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2-bromo-6-(2,2,2-trifluoroethoxy)pyridine

ChemBase ID: 813822
Molecular Formular: C7H5BrF3NO
Molecular Mass: 256.0199096
Monoisotopic Mass: 254.95066045
SMILES and InChIs

SMILES:
n1c(cccc1OCC(F)(F)F)Br
Canonical SMILES:
FC(COc1cccc(n1)Br)(F)F
InChI:
InChI=1S/C7H5BrF3NO/c8-5-2-1-3-6(12-5)13-4-7(9,10)11/h1-3H,4H2
InChIKey:
LXODSNMLYAMXDO-UHFFFAOYSA-N

Cite this record

CBID:813822 http://www.chembase.cn/molecule-813822.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-6-(2,2,2-trifluoroethoxy)pyridine
IUPAC Traditional name
2-bromo-6-(2,2,2-trifluoroethoxy)pyridine
Synonyms
2-bromo-6-(2,2,2-trifluoroethoxy)pyridine
CAS Number
869640-44-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35917 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35917 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.825508  H Acceptors
H Donor LogD (pH = 5.5) 3.1217303 
LogD (pH = 7.4) 3.1217306  Log P 3.1217306 
Molar Refractivity 44.5929 cm3 Polarizability 16.54213 Å3
Polar Surface Area 22.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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