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63237-84-3 molecular structure
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methyl pyrazolo[1,5-a]pyridine-3-carboxylate

ChemBase ID: 64798
Molecular Formular: C9H8N2O2
Molecular Mass: 176.17202
Monoisotopic Mass: 176.05857751
SMILES and InChIs

SMILES:
c1ccn2c(c1)c(cn2)C(=O)OC
Canonical SMILES:
COC(=O)c1cnn2c1cccc2
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)7-6-10-11-5-3-2-4-8(7)11/h2-6H,1H3
InChIKey:
VOBULDVRGTTWJY-UHFFFAOYSA-N

Cite this record

CBID:64798 http://www.chembase.cn/molecule-64798.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl pyrazolo[1,5-a]pyridine-3-carboxylate
IUPAC Traditional name
methyl pyrazolo[1,5-a]pyridine-3-carboxylate
Synonyms
methyl pyrazolo[1,5-a]pyridine-3-carboxylate
Pyrazolo[1,5-a]pyridine-3-carboxylic acid methyl ester
CAS Number
63237-84-3
MDL Number
MFCD09752651
PubChem SID
162030537
PubChem CID
14642212

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14642212 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.506653  LogD (pH = 7.4) 1.5066599 
Log P 1.50666  Molar Refractivity 58.0032 cm3
Polarizability 18.384064 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
79 - 81°C expand Show data source
Hydrophobicity(logP)
1.621 expand Show data source
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
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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