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1171424-92-2 molecular structure
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methyl 8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate

ChemBase ID: 64818
Molecular Formular: C10H9BrN2O2
Molecular Mass: 269.09466
Monoisotopic Mass: 267.98473954
SMILES and InChIs

SMILES:
c1c(cn2c(c1Br)nc(c2)C(=O)OC)C
Canonical SMILES:
COC(=O)c1cn2c(n1)c(Br)cc(c2)C
InChI:
InChI=1S/C10H9BrN2O2/c1-6-3-7(11)9-12-8(10(14)15-2)5-13(9)4-6/h3-5H,1-2H3
InChIKey:
PEFZRFNEABRZOX-UHFFFAOYSA-N

Cite this record

CBID:64818 http://www.chembase.cn/molecule-64818.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
IUPAC Traditional name
methyl 8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
Synonyms
Methyl 8-Bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
CAS Number
1171424-92-2
MDL Number
MFCD12026326
PubChem SID
162030557
PubChem CID
44118315

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 44118315 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2270713  LogD (pH = 7.4) 2.2310004 
Log P 2.2310507  Molar Refractivity 60.2537 cm3
Polarizability 22.414999 Å3 Polar Surface Area 43.6 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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