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159783-78-5 molecular structure
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3-bromo-5-chloropyridin-4-amine

ChemBase ID: 288957
Molecular Formular: C5H4BrClN2
Molecular Mass: 207.45566
Monoisotopic Mass: 205.92463782
SMILES and InChIs

SMILES:
Nc1c(Br)cncc1Cl
Canonical SMILES:
Nc1c(Cl)cncc1Br
InChI:
InChI=1S/C5H4BrClN2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
InChIKey:
VOEIEXVBLCRZCS-UHFFFAOYSA-N

Cite this record

CBID:288957 http://www.chembase.cn/molecule-288957.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-chloropyridin-4-amine
IUPAC Traditional name
3-bromo-5-chloropyridin-4-amine
Synonyms
3-Bromo-5-chloropyridin-4-amine
CAS Number
159783-78-5
MDL Number
MFCD10686645
PubChem SID
180674488
PubChem CID
34176492

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD215414 Please log in.
Data Source Data ID
PubChem 34176492 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9858487  LogD (pH = 7.4) 1.2929118 
Log P 1.2994448  Molar Refractivity 41.0291 cm3
Polarizability 15.478261 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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