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39891-02-6 molecular structure
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2,4-dichloro-6-(trifluoromethyl)pyridine

ChemBase ID: 815409
Molecular Formular: C6H2Cl2F3N
Molecular Mass: 215.9879896
Monoisotopic Mass: 214.95163909
SMILES and InChIs

SMILES:
n1c(cc(cc1C(F)(F)F)Cl)Cl
Canonical SMILES:
Clc1cc(Cl)nc(c1)C(F)(F)F
InChI:
InChI=1S/C6H2Cl2F3N/c7-3-1-4(6(9,10)11)12-5(8)2-3/h1-2H
InChIKey:
BJHUMUZOLTXVSC-UHFFFAOYSA-N

Cite this record

CBID:815409 http://www.chembase.cn/molecule-815409.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-6-(trifluoromethyl)pyridine
IUPAC Traditional name
2,4-dichloro-6-(trifluoromethyl)pyridine
Synonyms
2,4-dichloro-6-(trifluoromethyl)pyridine
CAS Number
39891-02-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37696 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37696 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) 3.4475386  LogD (pH = 7.4) 3.4475386 
Log P 3.4475386  Molar Refractivity 40.1737 cm3
Polarizability 14.808858 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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