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503425-86-3 molecular structure
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3,6-dibromopyridin-2-amine

ChemBase ID: 291036
Molecular Formular: C5H4Br2N2
Molecular Mass: 251.90666
Monoisotopic Mass: 249.87412214
SMILES and InChIs

SMILES:
Nc1nc(Br)ccc1Br
Canonical SMILES:
Brc1ccc(c(n1)N)Br
InChI:
InChI=1S/C5H4Br2N2/c6-3-1-2-4(7)9-5(3)8/h1-2H,(H2,8,9)
InChIKey:
JLZDECJPDYNENP-UHFFFAOYSA-N

Cite this record

CBID:291036 http://www.chembase.cn/molecule-291036.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6-dibromopyridin-2-amine
IUPAC Traditional name
3,6-dibromopyridin-2-amine
Synonyms
3,6-Dibromopyridin-2-amine
CAS Number
503425-86-3
PubChem SID
180676567
PubChem CID
1236654

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230627 Please log in.
Data Source Data ID
PubChem 1236654 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.264078  LogD (pH = 7.4) 2.2641315 
Log P 2.2641323  Molar Refractivity 45.0028 cm3
Polarizability 16.660667 Å3 Polar Surface Area 38.91 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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