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1196153-09-9 molecular structure
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4-bromo-2-(chloromethyl)-6-methylpyridine

ChemBase ID: 813842
Molecular Formular: C7H7BrClN
Molecular Mass: 220.49418
Monoisotopic Mass: 218.94503891
SMILES and InChIs

SMILES:
n1c(cc(cc1C)Br)CCl
Canonical SMILES:
ClCc1cc(Br)cc(n1)C
InChI:
InChI=1S/C7H7BrClN/c1-5-2-6(8)3-7(4-9)10-5/h2-3H,4H2,1H3
InChIKey:
XHYYSCIEGFVWHY-UHFFFAOYSA-N

Cite this record

CBID:813842 http://www.chembase.cn/molecule-813842.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2-(chloromethyl)-6-methylpyridine
IUPAC Traditional name
4-bromo-2-(chloromethyl)-6-methylpyridine
Synonyms
4-bromo-2-(chloromethyl)-6-methylpyridine
CAS Number
1196153-09-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35939 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35939 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) 2.3166156  LogD (pH = 7.4) 2.3243113 
Log P 2.3244102  Molar Refractivity 45.4601 cm3
Polarizability 17.75331 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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