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219635-91-3 molecular structure
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1-(6-bromopyridin-2-yl)piperazine

ChemBase ID: 307189
Molecular Formular: C9H12BrN3
Molecular Mass: 242.11568
Monoisotopic Mass: 241.0214594
SMILES and InChIs

SMILES:
n1c(N2CCNCC2)cccc1Br
Canonical SMILES:
Brc1cccc(n1)N1CCNCC1
InChI:
InChI=1S/C9H12BrN3/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
InChIKey:
WBRRYSNZMKKYLZ-UHFFFAOYSA-N

Cite this record

CBID:307189 http://www.chembase.cn/molecule-307189.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(6-bromopyridin-2-yl)piperazine
IUPAC Traditional name
1-(6-bromopyridin-2-yl)piperazine
Synonyms
1-(6-bromopyridin-2-yl)piperazine
CAS Number
219635-91-3
MDL Number
MFCD08691550

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -1.0628662  LogD (pH = 7.4) 0.50564164 
Log P 1.8964211  Molar Refractivity 57.8636 cm3
Polarizability 21.576647 Å3 Polar Surface Area 28.16 Å2

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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