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27926-72-3 molecular structure
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4-(pyridin-4-yl)pyridine dihydrochloride

ChemBase ID: 91407
Molecular Formular: C10H10Cl2N2
Molecular Mass: 229.1058
Monoisotopic Mass: 228.02210369
SMILES and InChIs

SMILES:
n1ccc(cc1)c1ccncc1.Cl.Cl
Canonical SMILES:
n1ccc(cc1)c1ccncc1.Cl.Cl
InChI:
InChI=1S/C10H8N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h1-8H;2*1H
InChIKey:
UAGAQPUIDMGOLD-UHFFFAOYSA-N

Cite this record

CBID:91407 http://www.chembase.cn/molecule-91407.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(pyridin-4-yl)pyridine dihydrochloride
IUPAC Traditional name
bipyridine dihydrochloride
Synonyms
4,4'-Bipyridine dihydrochloride
4,4'-BIPYRIDINE HCl
CAS Number
27926-72-3
MDL Number
MFCD00012824
PubChem SID
162078106
PubChem CID
119752

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 119752 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0022879  LogD (pH = 7.4) 1.1823698 
Log P 1.1851263  Molar Refractivity 46.880398 cm3
Polarizability 19.566391 Å3 Polar Surface Area 25.78 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
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05202306 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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