Home > Compound List > Compound details
603311-76-8 molecular structure
click picture or here to close

ethyl 2-{6-bromoimidazo[1,2-a]pyridin-3-yl}acetate

ChemBase ID: 287634
Molecular Formular: C11H11BrN2O2
Molecular Mass: 283.12124
Monoisotopic Mass: 282.0003896
SMILES and InChIs

SMILES:
O=C(OCC)Cc1cnc2ccc(Br)cn12
Canonical SMILES:
CCOC(=O)Cc1cnc2n1cc(Br)cc2
InChI:
InChI=1S/C11H11BrN2O2/c1-2-16-11(15)5-9-6-13-10-4-3-8(12)7-14(9)10/h3-4,6-7H,2,5H2,1H3
InChIKey:
NXSULFYVLBGQDA-UHFFFAOYSA-N

Cite this record

CBID:287634 http://www.chembase.cn/molecule-287634.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-{6-bromoimidazo[1,2-a]pyridin-3-yl}acetate
IUPAC Traditional name
ethyl 2-{6-bromoimidazo[1,2-a]pyridin-3-yl}acetate
Synonyms
Ethyl 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)acetate
CAS Number
603311-76-8
MDL Number
MFCD09839780
PubChem SID
180673165
PubChem CID
46839968

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD158969 Please log in.
Data Source Data ID
PubChem 46839968 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9471084  LogD (pH = 7.4) 1.5628458 
Log P 1.5887535  Molar Refractivity 64.262 cm3
Polarizability 24.299154 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle