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57892-76-9 molecular structure
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2-(chloromethyl)imidazo[1,2-a]pyridine

ChemBase ID: 26855
Molecular Formular: C8H7ClN2
Molecular Mass: 166.60758
Monoisotopic Mass: 166.02977591
SMILES and InChIs

SMILES:
n1c2n(cc1CCl)cccc2
Canonical SMILES:
ClCc1nc2n(c1)cccc2
InChI:
InChI=1S/C8H7ClN2/c9-5-7-6-11-4-2-1-3-8(11)10-7/h1-4,6H,5H2
InChIKey:
LBCREEUWXFNSAC-UHFFFAOYSA-N

Cite this record

CBID:26855 http://www.chembase.cn/molecule-26855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)imidazo[1,2-a]pyridine
IUPAC Traditional name
2-(chloromethyl)imidazo[1,2-a]pyridine
Synonyms
2-Chloromethylimidazo[1,2-a]pyridine
2-(Chloromethyl)imidazo[1,2-a]pyridine
2-(Chloromethyl)imidazo[1,2-a]pyridine hydrochloride
CAS Number
57892-76-9
MDL Number
MFCD03094615
MFCD00269177
PubChem SID
160990162
PubChem CID
957614

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8960756  LogD (pH = 7.4) 1.4143387 
Log P 1.4282634  Molar Refractivity 45.2811 cm3
Polarizability 16.947428 Å3 Polar Surface Area 17.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Partition Coefficient
1.44 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
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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