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53242-19-6 molecular structure
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5,6-dibromopyridin-3-amine

ChemBase ID: 70975
Molecular Formular: C5H4Br2N2
Molecular Mass: 251.90666
Monoisotopic Mass: 249.87412214
SMILES and InChIs

SMILES:
c1c(cc(c(n1)Br)Br)N
Canonical SMILES:
Nc1cnc(c(c1)Br)Br
InChI:
InChI=1S/C5H4Br2N2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2
InChIKey:
NAAJNKAJCAUMJS-UHFFFAOYSA-N

Cite this record

CBID:70975 http://www.chembase.cn/molecule-70975.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,6-dibromopyridin-3-amine
IUPAC Traditional name
5,6-dibromopyridin-3-amine
Synonyms
5,6-Dibromopyridin-3-amine
CAS Number
53242-19-6
MDL Number
MFCD11110698
PubChem SID
162036683
PubChem CID
44754894

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44754894 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6696719  LogD (pH = 7.4) 1.6696746 
Log P 1.6696748  Molar Refractivity 44.6893 cm3
Polarizability 16.661879 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
106 - 108°C expand Show data source
Hydrophobicity(logP)
2.01 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
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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