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1001056-83-2 molecular structure
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3-bromo-4,5-dichloropyridine

ChemBase ID: 288704
Molecular Formular: C5H2BrCl2N
Molecular Mass: 226.88608
Monoisotopic Mass: 224.87476643
SMILES and InChIs

SMILES:
Clc1cncc(Br)c1Cl
Canonical SMILES:
Clc1c(Cl)cncc1Br
InChI:
InChI=1S/C5H2BrCl2N/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKey:
YPRODAZVOKKURG-UHFFFAOYSA-N

Cite this record

CBID:288704 http://www.chembase.cn/molecule-288704.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-4,5-dichloropyridine
IUPAC Traditional name
3-bromo-4,5-dichloropyridine
Synonyms
3-Bromo-4,5-dichloropyridine
CAS Number
1001056-83-2
MDL Number
MFCD17014545
PubChem SID
180674235
PubChem CID
68742653

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD211612 Please log in.
Data Source Data ID
PubChem 68742653 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7324033  LogD (pH = 7.4) 2.7324152 
Log P 2.7324154  Molar Refractivity 41.1335 cm3
Polarizability 16.33929 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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