Home > Compound List > Compound details
72754-04-2 molecular structure
click picture or here to close

2,6-dibromo-1,8-naphthyridine

ChemBase ID: 813774
Molecular Formular: C8H4Br2N2
Molecular Mass: 287.93876
Monoisotopic Mass: 285.87412214
SMILES and InChIs

SMILES:
c1c(nc2ncc(cc2c1)Br)Br
Canonical SMILES:
Brc1cnc2c(c1)ccc(n2)Br
InChI:
InChI=1S/C8H4Br2N2/c9-6-3-5-1-2-7(10)12-8(5)11-4-6/h1-4H
InChIKey:
DMSVNFHGDCAEJX-UHFFFAOYSA-N

Cite this record

CBID:813774 http://www.chembase.cn/molecule-813774.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dibromo-1,8-naphthyridine
IUPAC Traditional name
2,6-dibromo-1,8-naphthyridine
Synonyms
2,6-dibromo-1,8-naphthyridine
CAS Number
72754-04-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35857 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35857 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) 2.9812598  LogD (pH = 7.4) 2.9812598 
Log P 2.9812598  Molar Refractivity 55.483 cm3
Polarizability 21.2125 Å3 Polar Surface Area 25.78 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

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