Home > Compound List > Compound details
918145-29-6 molecular structure
click picture or here to close

3-bromo-6-chloro-2,4-dimethylpyridine

ChemBase ID: 798232
Molecular Formular: C7H7BrClN
Molecular Mass: 220.49418
Monoisotopic Mass: 218.94503891
SMILES and InChIs

SMILES:
n1c(cc(c(c1C)Br)C)Cl
Canonical SMILES:
Clc1cc(C)c(c(n1)C)Br
InChI:
InChI=1S/C7H7BrClN/c1-4-3-6(9)10-5(2)7(4)8/h3H,1-2H3
InChIKey:
POWYUKKERVLNDN-UHFFFAOYSA-N

Cite this record

CBID:798232 http://www.chembase.cn/molecule-798232.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-6-chloro-2,4-dimethylpyridine
IUPAC Traditional name
3-bromo-6-chloro-2,4-dimethylpyridine
Synonyms
5-broMo-2-chloro-4,6-diMethylpyridine
CAS Number
918145-29-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10681 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10681 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) 2.9933155  LogD (pH = 7.4) 2.993339 
Log P 2.9933395  Molar Refractivity 47.0227 cm3
Polarizability 17.79164 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle