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1186405-11-7 molecular structure
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3-bromo-6-fluoroimidazo[1,2-a]pyridine

ChemBase ID: 42926
Molecular Formular: C7H4BrFN2
Molecular Mass: 215.0224632
Monoisotopic Mass: 213.95418836
SMILES and InChIs

SMILES:
n12c(ncc1Br)ccc(c2)F
Canonical SMILES:
Fc1ccc2n(c1)c(Br)cn2
InChI:
InChI=1S/C7H4BrFN2/c8-6-3-10-7-2-1-5(9)4-11(6)7/h1-4H
InChIKey:
HGFXJQASNPSBAZ-UHFFFAOYSA-N

Cite this record

CBID:42926 http://www.chembase.cn/molecule-42926.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-6-fluoroimidazo[1,2-a]pyridine
IUPAC Traditional name
3-bromo-6-fluoroimidazo[1,2-a]pyridine
Synonyms
3-Bromo-6-fluoroimidazo[1,2-a]pyridine
CAS Number
1186405-11-7
MDL Number
MFCD12827770
PubChem SID
162047689
PubChem CID
45588227

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0282089  LogD (pH = 7.4) 1.3640319 
Log P 1.3713595  Molar Refractivity 43.5576 cm3
Polarizability 16.02965 Å3 Polar Surface Area 17.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
141 - 142 °C expand Show data source
141-142°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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