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421595-78-0 molecular structure
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imidazo[1,2-a]pyridine-2-carbohydrazide

ChemBase ID: 297347
Molecular Formular: C8H8N4O
Molecular Mass: 176.17532
Monoisotopic Mass: 176.0698109
SMILES and InChIs

SMILES:
c1ccn2cc(nc2c1)C(=O)NN
Canonical SMILES:
NNC(=O)c1nc2n(c1)cccc2
InChI:
InChI=1S/C8H8N4O/c9-11-8(13)6-5-12-4-2-1-3-7(12)10-6/h1-5H,9H2,(H,11,13)
InChIKey:
RHZQESDITRQWDU-UHFFFAOYSA-N

Cite this record

CBID:297347 http://www.chembase.cn/molecule-297347.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[1,2-a]pyridine-2-carbohydrazide
IUPAC Traditional name
imidazo[1,2-a]pyridine-2-carbohydrazide
Synonyms
Imidazo[1,2-a]pyridine-7-carbohydrazide
CAS Number
421595-78-0
MDL Number
MFCD13183226
PubChem SID
180682878
PubChem CID
3628165

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
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Data Source Data ID
PubChem 3628165 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.148152  H Acceptors
H Donor LogD (pH = 5.5) -0.3051647 
LogD (pH = 7.4) -0.30049562  Log P -0.30043566 
Molar Refractivity 49.1269 cm3 Polarizability 17.57853 Å3
Polar Surface Area 72.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
258-261°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
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
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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