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30332-35-5 molecular structure
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2,3,5,6-tetrachloro-4-iodopyridine

ChemBase ID: 80338
Molecular Formular: C5Cl4IN
Molecular Mass: 342.77667
Monoisotopic Mass: 340.78295773
SMILES and InChIs

SMILES:
n1c(c(c(c(c1Cl)Cl)I)Cl)Cl
Canonical SMILES:
Clc1nc(Cl)c(c(c1Cl)I)Cl
InChI:
InChI=1S/C5Cl4IN/c6-1-3(10)2(7)5(9)11-4(1)8
InChIKey:
BTABLTRRNRROBK-UHFFFAOYSA-N

Cite this record

CBID:80338 http://www.chembase.cn/molecule-80338.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,5,6-tetrachloro-4-iodopyridine
IUPAC Traditional name
2,3,5,6-tetrachloro-4-iodopyridine
Synonyms
4-Iodo-2,3,5,6-tetrachloropyridine
CAS Number
30332-35-5
MDL Number
MFCD00093428
PubChem SID
162067458
PubChem CID
2776018

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR22847 external link Add to cart Please log in.
Data Source Data ID
PubChem 2776018 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.541051  LogD (pH = 7.4) 4.541051 
Log P 4.541051  Molar Refractivity 58.6054 cm3
Polarizability 22.901148 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
201-202°C expand Show data source
Storage Warning
Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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