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1260828-79-2 molecular structure
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2-(azetidin-3-yl)-6-fluoropyridine dihydrochloride

ChemBase ID: 796798
Molecular Formular: C8H11Cl2FN2
Molecular Mass: 225.0907432
Monoisotopic Mass: 224.02833194
SMILES and InChIs

SMILES:
Cl.Cl.n1c(cccc1F)C1CNC1
Canonical SMILES:
Fc1cccc(n1)C1CNC1.Cl.Cl
InChI:
InChI=1S/C8H9FN2.2ClH/c9-8-3-1-2-7(11-8)6-4-10-5-6;;/h1-3,6,10H,4-5H2;2*1H
InChIKey:
MEPGZVIMTIRTKY-UHFFFAOYSA-N

Cite this record

CBID:796798 http://www.chembase.cn/molecule-796798.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(azetidin-3-yl)-6-fluoropyridine dihydrochloride
IUPAC Traditional name
2-(azetidin-3-yl)-6-fluoropyridine dihydrochloride
Synonyms
2-(Azetidin-3-yl)-6-fluoropyridine dihydrochloride
CAS Number
1260828-79-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4390 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2384331  LogD (pH = 7.4) -1.2350966 
Log P 0.94983166  Molar Refractivity 40.6453 cm3
Polarizability 15.342852 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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