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5093-70-9 molecular structure
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4-bromo-2,6-dimethylpyridine

ChemBase ID: 68811
Molecular Formular: C7H8BrN
Molecular Mass: 186.04912
Monoisotopic Mass: 184.98401126
SMILES and InChIs

SMILES:
c1(cc(cc(n1)C)Br)C
Canonical SMILES:
Brc1cc(C)nc(c1)C
InChI:
InChI=1S/C7H8BrN/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
InChIKey:
VTRFAYHJKSKHGY-UHFFFAOYSA-N

Cite this record

CBID:68811 http://www.chembase.cn/molecule-68811.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2,6-dimethylpyridine
IUPAC Traditional name
4-bromo-2,6-dimethylpyridine
Synonyms
2,6-Dimethyl-4-bromopyridine
4-Bromo-2,6-dimethylpyridine
CAS Number
5093-70-9
MDL Number
MFCD00671475
PubChem SID
162034541
PubChem CID
13081735

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5012963  LogD (pH = 7.4) 1.7819487 
Log P 1.7870663  Molar Refractivity 40.7069 cm3
Polarizability 15.755442 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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

INTERNET

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