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307307-97-7 molecular structure
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4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid

ChemBase ID: 282523
Molecular Formular: C8H10N2O2
Molecular Mass: 166.1772
Monoisotopic Mass: 166.07422757
SMILES and InChIs

SMILES:
c1(c2n(nc1)CCCC2)C(=O)O
Canonical SMILES:
OC(=O)c1cnn2c1CCCC2
InChI:
InChI=1S/C8H10N2O2/c11-8(12)6-5-9-10-4-2-1-3-7(6)10/h5H,1-4H2,(H,11,12)
InChIKey:
VOAKNFVZEGNOKV-UHFFFAOYSA-N

Cite this record

CBID:282523 http://www.chembase.cn/molecule-282523.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-3-carboxylic acid
IUPAC Traditional name
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid
Synonyms
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CAS Number
307307-97-7
MDL Number
MFCD09056813
PubChem SID
180668054
PubChem CID
21941376

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21941376 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.4569688  H Acceptors
H Donor LogD (pH = 5.5) -1.2985011 
LogD (pH = 7.4) -2.640893  Log P 0.7518083 
Molar Refractivity 54.7607 cm3 Polarizability 16.013262 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.104 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

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