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1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine hydrochloride
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ChemBase ID:
64946
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Molecular Formular:
C6H10ClN3
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Molecular Mass:
159.6167
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Monoisotopic Mass:
159.05632502
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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
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Cite this record
CBID:64946 http://www.chembase.cn/molecule-64946.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine hydrochloride
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IUPAC Traditional name
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1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine hydrochloride
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Synonyms
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4,5,6,7-Tetrahydro-1H-pyrazolo[3,4-c]pyridine hydrochloride
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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14.869237
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H Acceptors
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2
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H Donor
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2
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LogD (pH = 5.5)
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-2.8773112
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LogD (pH = 7.4)
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-1.1614128
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Log P
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-0.20433173
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Molar Refractivity
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36.1805 cm3
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Polarizability
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13.375411 Å3
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Polar Surface Area
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40.71 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent