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64951-08-2 molecular structure
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imidazo[1,2-a]pyridine-2-carboxylic acid

ChemBase ID: 18170
Molecular Formular: C8H6N2O2
Molecular Mass: 162.14544
Monoisotopic Mass: 162.04292744
SMILES and InChIs

SMILES:
c1(nc2n(c1)cccc2)C(=O)O
Canonical SMILES:
OC(=O)c1nc2n(c1)cccc2
InChI:
InChI=1S/C8H6N2O2/c11-8(12)6-5-10-4-2-1-3-7(10)9-6/h1-5H,(H,11,12)
InChIKey:
WQLJLPDGSLZYEP-UHFFFAOYSA-N

Cite this record

CBID:18170 http://www.chembase.cn/molecule-18170.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[1,2-a]pyridine-2-carboxylic acid
IUPAC Traditional name
imidazo[1,2-a]pyridine-2-carboxylic acid
Synonyms
Imidazo[1,2-a]pyridine-2-carboxylic acid
Imidazo[1,2-a]pyridine-2-carboxylic acid hydrate
Imidazo[1,2-a]pyridine-7-carboxylic acid hydrate
CAS Number
64951-08-2
648423-85-2
MDL Number
MFCD22989343
MFCD17171427
MFCD03419462
PubChem SID
160981477
PubChem CID
2062168

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.012073  H Acceptors
H Donor LogD (pH = 5.5) -1.2515572 
LogD (pH = 7.4) -2.5424895  Log P -0.78894603 
Molar Refractivity 42.8206 cm3 Polarizability 15.66232 Å3
Polar Surface Area 54.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
232-234°C expand Show data source
242 - 244°C expand Show data source
248-251°C expand Show data source
Hydrophobicity(logP)
1.733 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
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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