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1138444-17-3 molecular structure
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6-bromo-2-chloro-3-iodopyridine

ChemBase ID: 32546
Molecular Formular: C5H2BrClIN
Molecular Mass: 318.33755
Monoisotopic Mass: 316.81038675
SMILES and InChIs

SMILES:
c1c(nc(c(c1)I)Cl)Br
Canonical SMILES:
Brc1ccc(c(n1)Cl)I
InChI:
InChI=1S/C5H2BrClIN/c6-4-2-1-3(8)5(7)9-4/h1-2H
InChIKey:
LZDHGMJHIXUOIF-UHFFFAOYSA-N

Cite this record

CBID:32546 http://www.chembase.cn/molecule-32546.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2-chloro-3-iodopyridine
IUPAC Traditional name
6-bromo-2-chloro-3-iodopyridine
Synonyms
6-Bromo-2-chloro-3-iodopyridine
6-Bromo-2-chloro-3-iodopyridine
CAS Number
1138444-17-3
MDL Number
MFCD11857690
PubChem SID
160995853
PubChem CID
46736784

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4830143  LogD (pH = 7.4) 3.4830143 
Log P 3.4830143  Molar Refractivity 51.5947 cm3
Polarizability 19.954199 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C5H2BrClIN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000551 external link
Other Notes
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Legal Information
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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