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651558-58-6 molecular structure
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1H,2H,3H-pyrrolo[3,4-c]pyridine hydrochloride

ChemBase ID: 64560
Molecular Formular: C7H9ClN2
Molecular Mass: 156.61276
Monoisotopic Mass: 156.04542598
SMILES and InChIs

SMILES:
N1Cc2c(C1)ccnc2.Cl
Canonical SMILES:
c1ncc2c(c1)CNC2.Cl
InChI:
InChI=1S/C7H8N2.ClH/c1-2-8-4-7-5-9-3-6(1)7;/h1-2,4,9H,3,5H2;1H
InChIKey:
PDMGKSJRAQJZDN-UHFFFAOYSA-N

Cite this record

CBID:64560 http://www.chembase.cn/molecule-64560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H,2H,3H-pyrrolo[3,4-c]pyridine hydrochloride
IUPAC Traditional name
1H,2H,3H-pyrrolo[3,4-c]pyridine hydrochloride
Synonyms
2,3-Dihydro-1H-pyrrolo[3,4-c]pyridine hydrochloride
CAS Number
651558-58-6
6000-50-6
MDL Number
MFCD08273906
PubChem SID
162030299
PubChem CID
18953645

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18953645 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9384012  LogD (pH = 7.4) -1.417631 
Log P 0.06514952  Molar Refractivity 35.7037 cm3
Polarizability 13.9073515 Å3 Polar Surface Area 24.92 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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