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63237-87-6 molecular structure
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pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid

ChemBase ID: 77144
Molecular Formular: C9H6N2O4
Molecular Mass: 206.15494
Monoisotopic Mass: 206.03275668
SMILES and InChIs

SMILES:
n12ccccc1c(c(n2)C(=O)O)C(=O)O
Canonical SMILES:
OC(=O)c1nn2c(c1C(=O)O)cccc2
InChI:
InChI=1S/C9H6N2O4/c12-8(13)6-5-3-1-2-4-11(5)10-7(6)9(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKey:
ALJPZXOFRCWHID-UHFFFAOYSA-N

Cite this record

CBID:77144 http://www.chembase.cn/molecule-77144.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid
IUPAC Traditional name
pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid
Synonyms
Pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid 97%
CAS Number
63237-87-6
MDL Number
MFCD06797491
PubChem SID
162042018
PubChem CID
7127822

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR1412 external link Add to cart Please log in.
Data Source Data ID
PubChem 7127822 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.338302  H Acceptors
H Donor LogD (pH = 5.5) -1.7614154 
LogD (pH = 7.4) -4.8229065  Log P 1.2041991 
Molar Refractivity 60.1183 cm3 Polarizability 18.74511 Å3
Polar Surface Area 91.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
218-218.5°C expand Show data source
Storage Warning
Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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