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1023-01-4 molecular structure
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2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridine

ChemBase ID: 142803
Molecular Formular: C14H11BrN2
Molecular Mass: 287.15454
Monoisotopic Mass: 286.01056036
SMILES and InChIs

SMILES:
Cc1ccc2nc(cn2c1)c1ccc(cc1)Br
Canonical SMILES:
Brc1ccc(cc1)c1cn2c(n1)ccc(c2)C
InChI:
InChI=1S/C14H11BrN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3
InChIKey:
OUTIKDPVXLJCLK-UHFFFAOYSA-N

Cite this record

CBID:142803 http://www.chembase.cn/molecule-142803.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridine
IUPAC Traditional name
2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridine
Synonyms
2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
2-(4-溴苯基)-6-甲基咪唑并[1,2-a]吡啶
2-(4-溴苯基)-6-甲基咪唑[1,2-a]吡啶
CAS Number
1023-01-4
MDL Number
MFCD00444784
PubChem SID
24884388
162237029
PubChem CID
837893

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 837893 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5300896  LogD (pH = 7.4) 4.060262 
Log P 4.074799  Molar Refractivity 73.3646 cm3
Polarizability 28.64927 Å3 Polar Surface Area 17.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
214-218 °C expand Show data source
214-218°C expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Gene Information
human ... APP(351) expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C14H11BrN2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 658960 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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