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35989-02-7 molecular structure
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3-bromo-5-(pyridin-2-yl)pyridine

ChemBase ID: 797210
Molecular Formular: C10H7BrN2
Molecular Mass: 235.07998
Monoisotopic Mass: 233.97926023
SMILES and InChIs

SMILES:
n1c(cccc1)c1cncc(c1)Br
Canonical SMILES:
Brc1cncc(c1)c1ccccn1
InChI:
InChI=1S/C10H7BrN2/c11-9-5-8(6-12-7-9)10-3-1-2-4-13-10/h1-7H
InChIKey:
ZKOZNFNWADATLB-UHFFFAOYSA-N

Cite this record

CBID:797210 http://www.chembase.cn/molecule-797210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-(pyridin-2-yl)pyridine
IUPAC Traditional name
3-bromo-5-(pyridin-2-yl)pyridine
Synonyms
5'-BroMo-2,3'-bipyridine
CAS Number
35989-02-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6301 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3273501  LogD (pH = 7.4) 2.339571 
Log P 2.3397293  Molar Refractivity 54.1312 cm3
Polarizability 22.166096 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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