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82127-26-2 molecular structure
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2-bromo-4,6-diphenylpyridine-3-carbonitrile

ChemBase ID: 291638
Molecular Formular: C18H11BrN2
Molecular Mass: 335.19734
Monoisotopic Mass: 334.01056036
SMILES and InChIs

SMILES:
N#Cc1c(Br)nc(c2ccccc2)cc1c1ccccc1
Canonical SMILES:
N#Cc1c(Br)nc(cc1c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H11BrN2/c19-18-16(12-20)15(13-7-3-1-4-8-13)11-17(21-18)14-9-5-2-6-10-14/h1-11H
InChIKey:
MHQOWNRJNSJRED-UHFFFAOYSA-N

Cite this record

CBID:291638 http://www.chembase.cn/molecule-291638.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4,6-diphenylpyridine-3-carbonitrile
IUPAC Traditional name
2-bromo-4,6-diphenylpyridine-3-carbonitrile
Synonyms
2-Bromo-4,6-diphenylnicotinonitrile
CAS Number
82127-26-2
MDL Number
MFCD00418222
PubChem SID
180677169
PubChem CID
818430

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231663 Please log in.
Data Source Data ID
PubChem 818430 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.2662454  LogD (pH = 7.4) 5.2662454 
Log P 5.2662454  Molar Refractivity 87.9881 cm3
Polarizability 35.87524 Å3 Polar Surface Area 36.68 Å2
Rotatable Bonds Lipinski's Rule of Five false 

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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