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158980-21-3 molecular structure
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ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate

ChemBase ID: 66408
Molecular Formular: C10H11N3O2
Molecular Mass: 205.21324
Monoisotopic Mass: 205.08512661
SMILES and InChIs

SMILES:
c12ccc(cn1cc(n2)C(=O)OCC)N
Canonical SMILES:
CCOC(=O)c1cn2c(n1)ccc(c2)N
InChI:
InChI=1S/C10H11N3O2/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8/h3-6H,2,11H2,1H3
InChIKey:
PKWHXLCNUIXDIK-UHFFFAOYSA-N

Cite this record

CBID:66408 http://www.chembase.cn/molecule-66408.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate
IUPAC Traditional name
ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate
Synonyms
Ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate
CAS Number
158980-21-3
MDL Number
MFCD05864804
PubChem SID
162032146
PubChem CID
14925628

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14925628 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.3526289  LogD (pH = 7.4) 0.47493592 
Log P 0.47675872  Molar Refractivity 57.0387 cm3
Polarizability 20.721037 Å3 Polar Surface Area 69.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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