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54151-74-5 molecular structure
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2-bromo-4-phenylpyridine

ChemBase ID: 93010
Molecular Formular: C11H8BrN
Molecular Mass: 234.09192
Monoisotopic Mass: 232.98401126
SMILES and InChIs

SMILES:
n1c(cc(cc1)c1ccccc1)Br
Canonical SMILES:
Brc1nccc(c1)c1ccccc1
InChI:
InChI=1S/C11H8BrN/c12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H
InChIKey:
KRIILKQTJUOQCJ-UHFFFAOYSA-N

Cite this record

CBID:93010 http://www.chembase.cn/molecule-93010.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4-phenylpyridine
IUPAC Traditional name
2-bromo-4-phenylpyridine
Synonyms
2-Bromo-4-phenylpyridine
CAS Number
54151-74-5
MDL Number
MFCD00235159
PubChem SID
162079708
PubChem CID
104700

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 104700 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3770316  LogD (pH = 7.4) 3.3770728 
Log P 3.3770733  Molar Refractivity 57.5023 cm3
Polarizability 23.082907 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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