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1001463-32-6 molecular structure
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4-bromo-2-(chloromethyl)pyridine

ChemBase ID: 815125
Molecular Formular: C6H5BrClN
Molecular Mass: 206.4676
Monoisotopic Mass: 204.92938885
SMILES and InChIs

SMILES:
n1c(cc(cc1)Br)CCl
Canonical SMILES:
ClCc1cc(Br)ccn1
InChI:
InChI=1S/C6H5BrClN/c7-5-1-2-9-6(3-5)4-8/h1-3H,4H2
InChIKey:
JJTOQZAHQZOCKN-UHFFFAOYSA-N

Cite this record

CBID:815125 http://www.chembase.cn/molecule-815125.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2-(chloromethyl)pyridine
IUPAC Traditional name
4-bromo-2-(chloromethyl)pyridine
Synonyms
4-bromo-2-(chloromethyl)pyridine
CAS Number
1001463-32-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37383 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37383 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) 2.1915987  LogD (pH = 7.4) 2.1930218 
Log P 2.19304  Molar Refractivity 40.8686 cm3
Polarizability 16.022121 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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