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307313-03-7 molecular structure
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4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylic acid

ChemBase ID: 53073
Molecular Formular: C8H10N2O2
Molecular Mass: 166.1772
Monoisotopic Mass: 166.07422757
SMILES and InChIs

SMILES:
C1Cn2c(CC1)cc(n2)C(=O)O
Canonical SMILES:
OC(=O)c1cc2n(n1)CCCC2
InChI:
InChI=1S/C8H10N2O2/c11-8(12)7-5-6-3-1-2-4-10(6)9-7/h5H,1-4H2,(H,11,12)
InChIKey:
GWQKXBKREDPLAS-UHFFFAOYSA-N

Cite this record

CBID:53073 http://www.chembase.cn/molecule-53073.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylic acid
IUPAC Traditional name
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylic acid
Synonyms
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CAS Number
307313-03-7
MDL Number
MFCD09056814
PubChem SID
162057836
PubChem CID
21941460

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21941460 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.1749094  H Acceptors
H Donor LogD (pH = 5.5) -1.1655725 
LogD (pH = 7.4) -2.3125215  Log P 1.1376586 
Molar Refractivity 54.3887 cm3 Polarizability 16.018091 Å3
Polar Surface Area 55.12 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
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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