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1188140-52-4 molecular structure
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4-bromo-3-chloro-2-methylpyridine

ChemBase ID: 802737
Molecular Formular: C6H5BrClN
Molecular Mass: 206.4676
Monoisotopic Mass: 204.92938885
SMILES and InChIs

SMILES:
n1c(c(c(cc1)Br)Cl)C
Canonical SMILES:
Brc1ccnc(c1Cl)C
InChI:
InChI=1S/C6H5BrClN/c1-4-6(8)5(7)2-3-9-4/h2-3H,1H3
InChIKey:
NUGJZYYBZIRDHI-UHFFFAOYSA-N

Cite this record

CBID:802737 http://www.chembase.cn/molecule-802737.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-3-chloro-2-methylpyridine
IUPAC Traditional name
4-bromo-3-chloro-2-methylpyridine
Synonyms
4-BROMO-3-CHLORO-2-METHYLPYRIDINE
CAS Number
1188140-52-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O19258 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2579558  LogD (pH = 7.4) 2.2597184 
Log P 2.2597408  Molar Refractivity 40.9202 cm3
Polarizability 16.026945 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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