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1196153-15-7 molecular structure
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2-chloro-6-(chloromethyl)-4-(trifluoromethyl)pyridine

ChemBase ID: 814171
Molecular Formular: C7H4Cl2F3N
Molecular Mass: 230.0145696
Monoisotopic Mass: 228.96728915
SMILES and InChIs

SMILES:
n1c(cc(cc1CCl)C(F)(F)F)Cl
Canonical SMILES:
ClCc1nc(Cl)cc(c1)C(F)(F)F
InChI:
InChI=1S/C7H4Cl2F3N/c8-3-5-1-4(7(10,11)12)2-6(9)13-5/h1-2H,3H2
InChIKey:
UHRDONXHHAJWAZ-UHFFFAOYSA-N

Cite this record

CBID:814171 http://www.chembase.cn/molecule-814171.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-(chloromethyl)-4-(trifluoromethyl)pyridine
IUPAC Traditional name
2-chloro-6-(chloromethyl)-4-(trifluoromethyl)pyridine
Synonyms
2-chloro-6-(chloromethyl)-4-(trifluoromethyl)pyridine
CAS Number
1196153-15-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36317 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36317 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) 3.1263566  LogD (pH = 7.4) 3.1263578 
Log P 3.1263578  Molar Refractivity 45.0856 cm3
Polarizability 16.516739 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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