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62002-31-7 molecular structure
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3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride

ChemBase ID: 55517
Molecular Formular: C6H11Cl2N3
Molecular Mass: 196.07764
Monoisotopic Mass: 195.03300273
SMILES and InChIs

SMILES:
C1NCCc2c1[nH]cn2.Cl.Cl
Canonical SMILES:
C1NCc2c(C1)nc[nH]2.Cl.Cl
InChI:
InChI=1S/C6H9N3.2ClH/c1-2-7-3-6-5(1)8-4-9-6;;/h4,7H,1-3H2,(H,8,9);2*1H
InChIKey:
NNMNMCZLZDPGQA-UHFFFAOYSA-N

Cite this record

CBID:55517 http://www.chembase.cn/molecule-55517.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
IUPAC Traditional name
3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
Synonyms
4,5,6,7-Tetrahydro-3H-imidazo[4,5-c]pyridine dihydrochloride
4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine dihydrochloride
CAS Number
62002-31-7
MDL Number
MFCD00182087
MFCD00489308
PubChem SID
162060280
PubChem CID
16418004

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.049417  H Acceptors
H Donor LogD (pH = 5.5) -3.0089023 
LogD (pH = 7.4) -1.5087816  Log P -0.77421534 
Molar Refractivity 35.0361 cm3 Polarizability 13.38156 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
Salt Data
2 HCl expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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