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109306-86-7 molecular structure
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2-(2-bromophenyl)pyridine

ChemBase ID: 798262
Molecular Formular: C11H8BrN
Molecular Mass: 234.09192
Monoisotopic Mass: 232.98401126
SMILES and InChIs

SMILES:
n1c(cccc1)c1c(cccc1)Br
Canonical SMILES:
Brc1ccccc1c1ccccn1
InChI:
InChI=1S/C11H8BrN/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-8H
InChIKey:
NNGXNALKPNFUQS-UHFFFAOYSA-N

Cite this record

CBID:798262 http://www.chembase.cn/molecule-798262.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-bromophenyl)pyridine
IUPAC Traditional name
2-(2-bromophenyl)pyridine
Synonyms
2-(2-BroMophenyl)pyridine
CAS Number
109306-86-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10753 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10753 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5481358  LogD (pH = 7.4) 3.5572836 
Log P 3.5574017  Molar Refractivity 56.2881 cm3
Polarizability 23.033075 Å3 Polar Surface Area 12.89 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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INTERNET

INTERNET

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