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129013-83-8 molecular structure
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3-(4-bromophenyl)pyridine

ChemBase ID: 293536
Molecular Formular: C11H8BrN
Molecular Mass: 234.09192
Monoisotopic Mass: 232.98401126
SMILES and InChIs

SMILES:
Brc1ccc(c2cccnc2)cc1
Canonical SMILES:
Brc1ccc(cc1)c1cccnc1
InChI:
InChI=1S/C11H8BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H
InChIKey:
FCHUOBPHXDXZBK-UHFFFAOYSA-N

Cite this record

CBID:293536 http://www.chembase.cn/molecule-293536.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-bromophenyl)pyridine
IUPAC Traditional name
3-(4-bromophenyl)pyridine
Synonyms
3-(4-Bromophenyl)pyridine
CAS Number
129013-83-8
PubChem SID
180679067
PubChem CID
1515241

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1515241 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1116083  LogD (pH = 7.4) 3.1707292 
Log P 3.1715515  Molar Refractivity 56.6601 cm3
Polarizability 23.02629 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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