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205444-22-0 molecular structure
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2-chloro-4-iodo-6-(trifluoromethyl)pyridine

ChemBase ID: 815416
Molecular Formular: C6H2ClF3IN
Molecular Mass: 307.4394596
Monoisotopic Mass: 306.88725941
SMILES and InChIs

SMILES:
n1c(cc(cc1C(F)(F)F)I)Cl
Canonical SMILES:
Ic1cc(Cl)nc(c1)C(F)(F)F
InChI:
InChI=1S/C6H2ClF3IN/c7-5-2-3(11)1-4(12-5)6(8,9)10/h1-2H
InChIKey:
JHKQSKCFLAXPKK-UHFFFAOYSA-N

Cite this record

CBID:815416 http://www.chembase.cn/molecule-815416.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-iodo-6-(trifluoromethyl)pyridine
IUPAC Traditional name
2-chloro-4-iodo-6-(trifluoromethyl)pyridine
Synonyms
2-chloro-4-iodo-6-(trifluoromethyl)pyridine
CAS Number
205444-22-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37707 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37707 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) 3.7724385  LogD (pH = 7.4) 3.7724385 
Log P 3.7724385  Molar Refractivity 48.7314 cm3
Polarizability 18.405834 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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