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1187385-63-2 molecular structure
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3-bromo-5-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine

ChemBase ID: 290478
Molecular Formular: C13H8BrN3O
Molecular Mass: 302.12612
Monoisotopic Mass: 300.98507389
SMILES and InChIs

SMILES:
Brc1cncc(c2nnc(c3ccccc3)o2)c1
Canonical SMILES:
Brc1cncc(c1)c1nnc(o1)c1ccccc1
InChI:
InChI=1S/C13H8BrN3O/c14-11-6-10(7-15-8-11)13-17-16-12(18-13)9-4-2-1-3-5-9/h1-8H
InChIKey:
MSUCGCFKPCQJKU-UHFFFAOYSA-N

Cite this record

CBID:290478 http://www.chembase.cn/molecule-290478.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine
IUPAC Traditional name
3-bromo-5-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine
Synonyms
2-(5-Bromopyridin-3-yl)-5-phenyl-1,3,4-oxadiazole
CAS Number
1187385-63-2
PubChem SID
180676009
PubChem CID
46739505

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Bide Pharmatech
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Data Source Data ID
PubChem 46739505 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5552015  LogD (pH = 7.4) 2.555305 
Log P 2.5553062  Molar Refractivity 92.6527 cm3
Polarizability 27.83544 Å3 Polar Surface Area 51.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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