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149817-62-9 molecular structure
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4-bromo-2,6-bis(pyridin-2-yl)pyridine

ChemBase ID: 180205
Molecular Formular: C15H10BrN3
Molecular Mass: 312.164
Monoisotopic Mass: 311.00580934
SMILES and InChIs

SMILES:
n1c(cc(cc1c1ncccc1)Br)c1ncccc1
Canonical SMILES:
Brc1cc(nc(c1)c1ccccn1)c1ccccn1
InChI:
InChI=1S/C15H10BrN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
InChIKey:
CJRRILXBSCRHKN-UHFFFAOYSA-N

Cite this record

CBID:180205 http://www.chembase.cn/molecule-180205.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2,6-bis(pyridin-2-yl)pyridine
IUPAC Traditional name
4-bromo-2,6-bis(pyridin-2-yl)pyridine
Synonyms
4'-Bromo-2,2':6'2''-terpyridine
CAS Number
149817-62-9
PubChem SID
164236115
PubChem CID
10614995

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Chemik
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Data Source Data ID
PubChem 10614995 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9246862  LogD (pH = 7.4) 3.9268062 
Log P 3.9268332  Molar Refractivity 75.9945 cm3
Polarizability 32.1897 Å3 Polar Surface Area 38.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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