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89719-93-7 molecular structure
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2,3-dichloro-4-(trifluoromethyl)pyridine

ChemBase ID: 50703
Molecular Formular: C6H2Cl2F3N
Molecular Mass: 215.9879896
Monoisotopic Mass: 214.95163909
SMILES and InChIs

SMILES:
c1(C(F)(F)F)c(c(ncc1)Cl)Cl
Canonical SMILES:
Clc1nccc(c1Cl)C(F)(F)F
InChI:
InChI=1S/C6H2Cl2F3N/c7-4-3(6(9,10)11)1-2-12-5(4)8/h1-2H
InChIKey:
ZFCZNQZILNNPBH-UHFFFAOYSA-N

Cite this record

CBID:50703 http://www.chembase.cn/molecule-50703.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dichloro-4-(trifluoromethyl)pyridine
IUPAC Traditional name
2,3-dichloro-4-(trifluoromethyl)pyridine
Synonyms
2,3-Dichloro-4-(trifluoromethyl)pyridine
CAS Number
89719-93-7
MDL Number
MFCD14525481
PubChem SID
162055466
PubChem CID
15132714

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15132714 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.061688  LogD (pH = 7.4) 3.0616884 
Log P 3.0616884  Molar Refractivity 40.5457 cm3
Polarizability 14.846579 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
Oil expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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