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143982-54-1 molecular structure
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ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate

ChemBase ID: 66411
Molecular Formular: C10H9BrN2O2
Molecular Mass: 269.09466
Monoisotopic Mass: 267.98473954
SMILES and InChIs

SMILES:
c12ccccn1c(c(n2)C(=O)OCC)Br
Canonical SMILES:
CCOC(=O)c1nc2n(c1Br)cccc2
InChI:
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h3-6H,2H2,1H3
InChIKey:
MPILHKPXTMEIMG-UHFFFAOYSA-N

Cite this record

CBID:66411 http://www.chembase.cn/molecule-66411.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-2-carboxylate
IUPAC Traditional name
ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate
Synonyms
3-Bromo-2-(ethoxycarbonyl)imidazo[1,2-a]pyridine
Ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate
CAS Number
143982-54-1
MDL Number
MFCD05864806
PubChem SID
162032149
PubChem CID
15152339

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7737483  LogD (pH = 7.4) 1.7747797 
Log P 1.7747928  Molar Refractivity 59.7431 cm3
Polarizability 22.523972 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
76-79°C expand Show data source
Storage Warning
Harmful 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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