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342613-63-2 molecular structure
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methyl 3-bromoimidazo[1,2-a]pyridine-7-carboxylate

ChemBase ID: 89635
Molecular Formular: C9H7BrN2O2
Molecular Mass: 255.06808
Monoisotopic Mass: 253.96908947
SMILES and InChIs

SMILES:
O=C(c1cc2ncc(n2cc1)Br)OC
Canonical SMILES:
COC(=O)c1ccn2c(c1)ncc2Br
InChI:
InChI=1S/C9H7BrN2O2/c1-14-9(13)6-2-3-12-7(10)5-11-8(12)4-6/h2-5H,1H3
InChIKey:
VFFFBWRUZMAHFS-UHFFFAOYSA-N

Cite this record

CBID:89635 http://www.chembase.cn/molecule-89635.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-bromoimidazo[1,2-a]pyridine-7-carboxylate
IUPAC Traditional name
methyl 3-bromoimidazo[1,2-a]pyridine-7-carboxylate
Synonyms
3-Bromoimidazo[1,2-a]pyridine-7-carboxylic acid methyl ester
Methyl 3-bromoimidazo[1,2-a]pyridine-7-carboxylate
3-Bromo-7-(methoxycarbonyl)imidazo[1,2-a]pyridine
Methyl 3-bromoimidazo[1,2-a]pyridine-7-carboxylate
CAS Number
342613-63-2
MDL Number
MFCD10566741
PubChem SID
162076500
PubChem CID
45790121

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45790121 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1117681  LogD (pH = 7.4) 1.2303399 
Log P 1.2321345  Molar Refractivity 55.3665 cm3
Polarizability 20.71104 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
156-157°C expand Show data source
156-157°C expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Store under Argon 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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