Home > Compound List > Compound details
254-60-4 molecular structure
click picture or here to close

1,8-naphthyridine

ChemBase ID: 16206
Molecular Formular: C8H6N2
Molecular Mass: 130.14664
Monoisotopic Mass: 130.0530982
SMILES and InChIs

SMILES:
c1ccc2c(n1)nccc2
Canonical SMILES:
c1cnc2c(c1)cccn2
InChI:
InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H
InChIKey:
FLBAYUMRQUHISI-UHFFFAOYSA-N

Cite this record

CBID:16206 http://www.chembase.cn/molecule-16206.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,8-naphthyridine
IUPAC Traditional name
1,8-naphthyridine
Synonyms
1,8-Diazanaphthalene
[1,8]Naphthyridine
1,8-NAPHTHYRIDINE
CAS Number
254-60-4
MDL Number
MFCD00059751
PubChem SID
160979513
PubChem CID
136069

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 136069 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2382219  LogD (pH = 7.4) 1.2382325 
Log P 1.2382326  Molar Refractivity 39.3952 cm3
Polarizability 15.40161 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
99.8-99.9°C expand Show data source
Storage Warning
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

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