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942206-06-6 molecular structure
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5-bromo-2-(furan-2-yl)pyridine

ChemBase ID: 296360
Molecular Formular: C9H6BrNO
Molecular Mass: 224.05404
Monoisotopic Mass: 222.96327582
SMILES and InChIs

SMILES:
c1cc(oc1)c1ccc(cn1)Br
Canonical SMILES:
Brc1ccc(nc1)c1ccco1
InChI:
InChI=1S/C9H6BrNO/c10-7-3-4-8(11-6-7)9-2-1-5-12-9/h1-6H
InChIKey:
ZKUDFBZRIQOMGO-UHFFFAOYSA-N

Cite this record

CBID:296360 http://www.chembase.cn/molecule-296360.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-(furan-2-yl)pyridine
IUPAC Traditional name
5-bromo-2-(furan-2-yl)pyridine
Synonyms
5-Bromo-2-(2-furyl)pyridine
5-溴-2-(2-呋喃基)吡啶
CAS Number
942206-06-6
MDL Number
MFCD09037418
PubChem SID
180681891
PubChem CID
42552976

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 42552976 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6176405  LogD (pH = 7.4) 2.6176484 
Log P 2.6176484  Molar Refractivity 48.679 cm3
Polarizability 19.988968 Å3 Polar Surface Area 26.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
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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