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1196153-93-1 molecular structure
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4-bromo-2-chloro-6-(trifluoromethyl)pyridine

ChemBase ID: 814100
Molecular Formular: C6H2BrClF3N
Molecular Mass: 260.4389896
Monoisotopic Mass: 258.90112341
SMILES and InChIs

SMILES:
n1c(cc(cc1C(F)(F)F)Br)Cl
Canonical SMILES:
Brc1cc(Cl)nc(c1)C(F)(F)F
InChI:
InChI=1S/C6H2BrClF3N/c7-3-1-4(6(9,10)11)12-5(8)2-3/h1-2H
InChIKey:
JYWXFFQZXLODDU-UHFFFAOYSA-N

Cite this record

CBID:814100 http://www.chembase.cn/molecule-814100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2-chloro-6-(trifluoromethyl)pyridine
IUPAC Traditional name
4-bromo-2-chloro-6-(trifluoromethyl)pyridine
Synonyms
4-bromo-2-chloro-6-(trifluoromethyl)pyridine
CAS Number
1196153-93-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36242 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36242 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6122468  LogD (pH = 7.4) 3.6122468 
Log P 3.6122468  Molar Refractivity 42.9917 cm3
Polarizability 16.01437 Å3 Polar Surface Area 12.89 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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