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879668-17-4 molecular structure
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1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine hydrochloride

ChemBase ID: 64946
Molecular Formular: C6H10ClN3
Molecular Mass: 159.6167
Monoisotopic Mass: 159.05632502
SMILES and InChIs

SMILES:
C1NCc2[nH]ncc2C1.Cl
Canonical SMILES:
C1NCc2c(C1)cn[nH]2.Cl
InChI:
InChI=1S/C6H9N3.ClH/c1-2-7-4-6-5(1)3-8-9-6;/h3,7H,1-2,4H2,(H,8,9);1H
InChIKey:
MGEFXKKDBHBPEO-UHFFFAOYSA-N

Cite this record

CBID:64946 http://www.chembase.cn/molecule-64946.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine hydrochloride
IUPAC Traditional name
1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine hydrochloride
Synonyms
4,5,6,7-Tetrahydro-1H-pyrazolo[3,4-c]pyridine hydrochloride
CAS Number
879668-17-4
MDL Number
MFCD11846200
PubChem SID
162030685
PubChem CID
55279788

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
070276 external link Add to cart Please log in.
Data Source Data ID
PubChem 55279788 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.869237  H Acceptors
H Donor LogD (pH = 5.5) -2.8773112 
LogD (pH = 7.4) -1.1614128  Log P -0.20433173 
Molar Refractivity 36.1805 cm3 Polarizability 13.375411 Å3
Polar Surface Area 40.71 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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