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MFCD22682824 molecular structure
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3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid

ChemBase ID: 40705
Molecular Formular: C8H4BrClN2O2
Molecular Mass: 275.48656
Monoisotopic Mass: 273.91446706
SMILES and InChIs

SMILES:
c1(c(n2c(n1)ccc(c2)Cl)Br)C(=O)O
Canonical SMILES:
Clc1ccc2n(c1)c(Br)c(n2)C(=O)O
InChI:
InChI=1S/C8H4BrClN2O2/c9-7-6(8(13)14)11-5-2-1-4(10)3-12(5)7/h1-3H,(H,13,14)
InChIKey:
MJAWBCUJQYCZBT-UHFFFAOYSA-N

Cite this record

CBID:40705 http://www.chembase.cn/molecule-40705.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid
IUPAC Traditional name
3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid
Synonyms
3-Bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid hydrate
3-Bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid
MDL Number
MFCD22682824
MFCD08064717
PubChem SID
162045468
PubChem CID
16412916

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16412916 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8605518  H Acceptors
H Donor LogD (pH = 5.5) -0.47114515 
LogD (pH = 7.4) -1.579326  Log P 0.87265587 
Molar Refractivity 55.0302 cm3 Polarizability 20.700384 Å3
Polar Surface Area 54.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
216-219°C dec. expand Show data source
222 - 223 °C expand Show data source
222-223°C expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
>95% expand Show data source
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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