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1215504-30-5 molecular structure
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ethyl 3-bromoimidazo[1,2-a]pyridine-6-carboxylate

ChemBase ID: 297319
Molecular Formular: C10H9BrN2O2
Molecular Mass: 269.09466
Monoisotopic Mass: 267.98473954
SMILES and InChIs

SMILES:
Brc1cnc2n1cc(cc2)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1ccc2n(c1)c(Br)cn2
InChI:
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)7-3-4-9-12-5-8(11)13(9)6-7/h3-6H,2H2,1H3
InChIKey:
USZADKSDVGABGB-UHFFFAOYSA-N

Cite this record

CBID:297319 http://www.chembase.cn/molecule-297319.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-bromoimidazo[1,2-a]pyridine-6-carboxylate
IUPAC Traditional name
ethyl 3-bromoimidazo[1,2-a]pyridine-6-carboxylate
Synonyms
3-Bromoimidazo[1,2-a]pyridine-6-carboxylic acid ethyl ester
Ethyl 3-bromoimidazo[1,2-a]pyridine-6-carboxylate
CAS Number
1215504-30-5
MDL Number
MFCD12827886
PubChem SID
180682850
PubChem CID
51063907

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 51063907 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.501554  LogD (pH = 7.4) 1.5877004 
Log P 1.5889424  Molar Refractivity 60.1151 cm3
Polarizability 22.514122 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
95-96°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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