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885272-05-9 molecular structure
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methyl 2-aminoimidazo[1,2-a]pyridine-6-carboxylate

ChemBase ID: 118562
Molecular Formular: C9H9N3O2
Molecular Mass: 191.18666
Monoisotopic Mass: 191.06947654
SMILES and InChIs

SMILES:
n12c(nc(c2)N)ccc(c1)C(=O)OC
Canonical SMILES:
COC(=O)c1ccc2n(c1)cc(n2)N
InChI:
InChI=1S/C9H9N3O2/c1-14-9(13)6-2-3-8-11-7(10)5-12(8)4-6/h2-5H,10H2,1H3
InChIKey:
FNBNBXSSJORRFI-UHFFFAOYSA-N

Cite this record

CBID:118562 http://www.chembase.cn/molecule-118562.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-aminoimidazo[1,2-a]pyridine-6-carboxylate
IUPAC Traditional name
methyl 2-aminoimidazo[1,2-a]pyridine-6-carboxylate
Synonyms
methyl 2-aminoimidazo[1,2-a]pyridine-6-carboxylate
CAS Number
885272-05-9
MDL Number
MFCD08059260
PubChem SID
162099111
PubChem CID
55251156

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F2199-0017 external link Add to cart Please log in.
Data Source Data ID
PubChem 55251156 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.20499803  LogD (pH = 7.4) 0.5020225 
Log P 0.52855796  Molar Refractivity 52.9756 cm3
Polarizability 18.88842 Å3 Polar Surface Area 69.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.173 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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