Home > Compound List > Compound details
7689-62-5 molecular structure
click picture or here to close

2-chloro-1,5-naphthyridine

ChemBase ID: 292251
Molecular Formular: C8H5ClN2
Molecular Mass: 164.5917
Monoisotopic Mass: 164.01412585
SMILES and InChIs

SMILES:
Clc1ccc2ncccc2n1
Canonical SMILES:
Clc1ccc2c(n1)cccn2
InChI:
InChI=1S/C8H5ClN2/c9-8-4-3-6-7(11-8)2-1-5-10-6/h1-5H
InChIKey:
JUYRQGHDOBBUEA-UHFFFAOYSA-N

Cite this record

CBID:292251 http://www.chembase.cn/molecule-292251.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-1,5-naphthyridine
IUPAC Traditional name
2-chloro-1,5-naphthyridine
Synonyms
2-Chloro-1,5-naphthyridine
CAS Number
7689-62-5
PubChem SID
180677782
PubChem CID
15153031

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15153031 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1230762  LogD (pH = 7.4) 2.1232975 
Log P 2.1233003  Molar Refractivity 43.3165 cm3
Polarizability 17.97679 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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