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728864-61-7 molecular structure
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6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde

ChemBase ID: 18192
Molecular Formular: C9H7ClN2O
Molecular Mass: 194.61768
Monoisotopic Mass: 194.02469053
SMILES and InChIs

SMILES:
n12c(nc(c1C=O)C)ccc(c2)Cl
Canonical SMILES:
O=Cc1c(C)nc2n1cc(Cl)cc2
InChI:
InChI=1S/C9H7ClN2O/c1-6-8(5-13)12-4-7(10)2-3-9(12)11-6/h2-5H,1H3
InChIKey:
MSIOZCNTINYVID-UHFFFAOYSA-N

Cite this record

CBID:18192 http://www.chembase.cn/molecule-18192.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
IUPAC Traditional name
6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
Synonyms
6-Chloro-2-methyl-imidazo[1,2-a]pyridine-3-carbaldehyde
6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CAS Number
728864-61-7
MDL Number
MFCD04117275
PubChem SID
160981499
PubChem CID
2757682

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2757682 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0381228  LogD (pH = 7.4) 1.1262122 
Log P 1.1274678  Molar Refractivity 51.7942 cm3
Polarizability 18.864151 Å3 Polar Surface Area 34.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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