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892548-11-7 molecular structure
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2-bromo-4-(pyrrolidine-1-carbonyl)pyridine

ChemBase ID: 308528
Molecular Formular: C10H11BrN2O
Molecular Mass: 255.11114
Monoisotopic Mass: 254.00547498
SMILES and InChIs

SMILES:
C(=O)(N1CCCC1)c1cc(ncc1)Br
Canonical SMILES:
Brc1nccc(c1)C(=O)N1CCCC1
InChI:
InChI=1S/C10H11BrN2O/c11-9-7-8(3-4-12-9)10(14)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKey:
UNGGHSBYTDJINR-UHFFFAOYSA-N

Cite this record

CBID:308528 http://www.chembase.cn/molecule-308528.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4-(pyrrolidine-1-carbonyl)pyridine
IUPAC Traditional name
2-bromo-4-(pyrrolidine-1-carbonyl)pyridine
Synonyms
2-bromo-4-(1-pyrrolidinylcarbonyl)pyridine
CAS Number
892548-11-7
MDL Number
MFCD12198445

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.433637  LogD (pH = 7.4) 1.4336379 
Log P 1.433638  Molar Refractivity 58.7789 cm3
Polarizability 21.823853 Å3 Polar Surface Area 33.2 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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