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1222709-26-3 molecular structure
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methyl 6-chloropyrazolo[1,5-a]pyridine-2-carboxylate

ChemBase ID: 65103
Molecular Formular: C9H7ClN2O2
Molecular Mass: 210.61708
Monoisotopic Mass: 210.01960515
SMILES and InChIs

SMILES:
c1c(cn2nc(cc2c1)C(=O)OC)Cl
Canonical SMILES:
COC(=O)c1nn2c(c1)ccc(c2)Cl
InChI:
InChI=1S/C9H7ClN2O2/c1-14-9(13)8-4-7-3-2-6(10)5-12(7)11-8/h2-5H,1H3
InChIKey:
SJCQUGSREGREKK-UHFFFAOYSA-N

Cite this record

CBID:65103 http://www.chembase.cn/molecule-65103.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 6-chloropyrazolo[1,5-a]pyridine-2-carboxylate
IUPAC Traditional name
methyl 6-chloropyrazolo[1,5-a]pyridine-2-carboxylate
Synonyms
6-Chloropyrazolo[1,5-a]pyridine-2-carboxylic acid methyl ester
CAS Number
1222709-26-3
MDL Number
MFCD16140374
PubChem SID
162030842
PubChem CID
52911131

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 52911131 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2965548  LogD (pH = 7.4) 2.296555 
Log P 2.296555  Molar Refractivity 62.436 cm3
Polarizability 20.303978 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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