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30384-96-4 molecular structure
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6-bromoimidazo[1,2-a]pyridine-3-carbaldehyde

ChemBase ID: 67038
Molecular Formular: C8H5BrN2O
Molecular Mass: 225.0421
Monoisotopic Mass: 223.95852479
SMILES and InChIs

SMILES:
c12ccc(cn1c(cn2)C=O)Br
Canonical SMILES:
O=Cc1cnc2n1cc(Br)cc2
InChI:
InChI=1S/C8H5BrN2O/c9-6-1-2-8-10-3-7(5-12)11(8)4-6/h1-5H
InChIKey:
LBCRSOFJVLOCIK-UHFFFAOYSA-N

Cite this record

CBID:67038 http://www.chembase.cn/molecule-67038.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
IUPAC Traditional name
6-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
Synonyms
6-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
6-Bromoimidazo[1,2-a]pyridine-3-carboxaldehyde
CAS Number
30384-96-4
MDL Number
MFCD09864909
PubChem SID
162032774
PubChem CID
21345676

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21345676 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0570467  LogD (pH = 7.4) 1.1592956 
Log P 1.1608055  Molar Refractivity 50.0207 cm3
Polarizability 18.098381 Å3 Polar Surface Area 34.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
162 - 164°C expand Show data source
Hydrophobicity(logP)
2.158 expand Show data source
Storage Warning
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
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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