Home > Compound List > Compound details
112197-12-3 molecular structure
click picture or here to close

4-bromo-2-methoxy-3-methylpyridine

ChemBase ID: 294776
Molecular Formular: C7H8BrNO
Molecular Mass: 202.04852
Monoisotopic Mass: 200.97892588
SMILES and InChIs

SMILES:
Cc1c(Br)ccnc1OC
Canonical SMILES:
COc1nccc(c1C)Br
InChI:
InChI=1S/C7H8BrNO/c1-5-6(8)3-4-9-7(5)10-2/h3-4H,1-2H3
InChIKey:
MXNUOXFGYYUHJI-UHFFFAOYSA-N

Cite this record

CBID:294776 http://www.chembase.cn/molecule-294776.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2-methoxy-3-methylpyridine
IUPAC Traditional name
4-bromo-2-methoxy-3-methylpyridine
Synonyms
4-Bromo-2-methoxy-3-methylpyridine
CAS Number
112197-12-3
MDL Number
MFCD16610111
PubChem SID
180680307
PubChem CID
70700416

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD218267 Please log in.
Data Source Data ID
PubChem 70700416 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.474177  LogD (pH = 7.4) 2.4745293 
Log P 2.4745336  Molar Refractivity 43.3418 cm3
Polarizability 16.585854 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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