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823221-97-2 molecular structure
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3-bromo-5-chloro-2-iodopyridine

ChemBase ID: 802765
Molecular Formular: C5H2BrClIN
Molecular Mass: 318.33755
Monoisotopic Mass: 316.81038675
SMILES and InChIs

SMILES:
n1c(c(cc(c1)Cl)Br)I
Canonical SMILES:
Clc1cnc(c(c1)Br)I
InChI:
InChI=1S/C5H2BrClIN/c6-4-1-3(7)2-9-5(4)8/h1-2H
InChIKey:
INARBABVYJQJDC-UHFFFAOYSA-N

Cite this record

CBID:802765 http://www.chembase.cn/molecule-802765.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-chloro-2-iodopyridine
IUPAC Traditional name
3-bromo-5-chloro-2-iodopyridine
Synonyms
3-BROMO-5-CHLORO-2-IODOPYRIDINE
CAS Number
823221-97-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O19301 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O19301 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) 3.0899029  LogD (pH = 7.4) 3.0899029 
Log P 3.0899029  Molar Refractivity 49.3993 cm3
Polarizability 19.932045 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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